Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003482)

HILIC POSITIVE ION MODE (Analysis AN005718)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
3-[(3-Methylbutyl)nitrosoamino]-2-butanone	ME908021	3.28	0.21	0.54	0.67	0.40	0.90
Inosinic acid	ME908053	3.60	0.34	0.81	0.30	0.43	0.53
2-(Diethylamino)ethanol	ME908013	2.53	0.71	0.50	0.14	2.07	0.05
Cyclohexylamine	ME908039	2.72	0.42	0.68	0.38	1.54	0.26
1-Linoleoyl-2-Hydroxy-sn-glycero-3-PC	ME908009	2.39	1.33	0.62	0.64	0.53	0.50
MFCD00133435	ME908068	2.35	1.08	0.78	0.65	0.53	0.61
MFCD02259286	ME908069	1.46	0.30	0.78	1.07	1.33	1.06
Inspra	ME908054	1.28	0.49	0.92	0.92	0.87	1.51
L-(+)-Valine	ME908061	1.06	0.84	0.82	1.08	1.00	1.21
1-Stearoyl-2-hydroxy-sn-glycero-3-PE	ME908012	1.65	1.25	1.03	0.76	0.70	0.60
Alpha-GPC	ME908031	1.49	1.06	0.88	0.82	0.62	1.13
Diethylamine	ME908042	2.28	0.71	0.56	0.57	1.28	0.60
His-pro	ME908051	1.85	1.06	0.38	0.65	1.42	0.65
5-Isobutyl-2-oxotetrahydro-3-furancarboxylic acid	ME908026	2.65	0.49	0.51	0.69	0.71	0.96
Deanol	ME908041	1.97	0.26	0.74	0.63	1.35	1.04
(2E)-decenoic acid	ME908004	1.65	0.80	0.74	0.67	0.95	1.19
4-[(2-Isopropyl-5-methylcyclohexyl)oxy]-4-oxobutanoic acid	ME908022	1.68	0.81	0.67	0.69	0.96	1.19
3,4-Dihydroxyphenylglycol	ME908019	1.59	0.74	0.69	0.81	0.97	1.20
Methyl Jasmonate	ME908066	1.61	0.66	0.72	0.79	0.93	1.28
7-Hydroxymyoporone	ME908028	1.78	0.73	0.56	0.73	0.93	1.27
1-Methyl-N-(9-methyl-9-azabicyclo[3.3.1]non-3-yl)-1H-indazole-3-carboxamide	ME908011	1.79	0.58	0.71	0.75	0.94	1.23
2,4-dihydroxyheptadec-16-ynyl acetate	ME908014	1.80	0.61	0.63	0.75	0.94	1.28
2-[4-(3-Hydroxypropyl)-2-methoxyphenoxy]-1,3-propanediol	ME908015	1.88	0.59	0.55	0.69	0.98	1.31
6-Methoxyelemicin	ME908027	1.86	0.63	0.64	0.62	1.02	1.24
Dihydroartemisinin	ME908005	1.84	0.64	0.61	0.67	1.00	1.25
3,4-Dimethyl-5-pentyl-2-furanpropanoic acid	ME908020	1.90	0.71	0.65	0.72	0.97	1.05
4-Hydroxy-5-methoxy-4-[2-methyl-3-(3-methyl-2-buten-1-yl)-2-oxiranyl]-1-oxaspiro[2.5]octan-6-one	ME908024	1.93	0.58	0.65	0.67	1.02	1.16
RG5927200	ME908080	2.04	0.58	0.61	0.72	0.88	1.17
Hexylresorcinol	ME908050	1.92	0.65	0.67	0.69	0.92	1.15
Tetranor 12-HETE	ME908082	1.97	0.65	0.61	0.70	0.91	1.17
2-Octenoic acid	ME908018	2.02	0.48	0.73	0.80	0.78	1.19
Propylparaben	ME908078	2.00	0.68	0.61	0.59	0.82	1.30
R79646H5Z8	ME908079	1.97	0.59	0.67	0.64	0.83	1.31
Butylparaben	ME908034	2.11	0.68	0.64	0.68	0.75	1.14
cis-3-Hexenyl Pyruvate	ME908037	2.02	0.67	0.79	0.59	0.71	1.22
(5E,9Z)-farnesyl acetone	ME908006	2.20	0.67	0.52	0.83	0.98	0.79
15,16-DiHODE	ME908008	2.12	0.56	0.62	0.69	1.02	0.99
LQ5400000	ME908064	2.03	0.70	0.58	0.84	0.86	1.00
Butenylcarnitine	ME908033	2.34	0.51	0.50	0.53	1.06	1.06
(1S,2R,5S)-2-Isopropyl-5-methylcyclohexyl 3-oxobutanoate	ME908003	2.29	0.66	0.63	0.54	0.84	1.03
PEG-4	ME908075	2.38	0.63	0.61	0.56	0.79	1.02
L-(+)-ERGOTHIONEINE	ME908058	0.59	0.22	0.87	2.08	1.23	1.00
2^-Deoxycytidine	ME908016	0.42	0.27	0.78	2.00	0.52	2.01
Cytosine	ME908040	0.43	0.32	1.30	1.68	0.46	1.81
Colfosceril palmitate	ME908038	0.38	2.14	0.54	0.47	1.02	1.44
MFCD00036904	ME908067	0.77	2.23	0.90	0.53	0.62	0.95
Platelet-activating factor	ME908076	0.78	2.00	1.28	0.53	0.57	0.84
D-PANTOTHENIC ACID	ME908045	1.18	2.33	0.63	0.99	0.60	0.26
Aminolevulinic acid	ME908032	0.80	2.11	0.52	0.87	1.13	0.57
L-(+)-Arginine	ME908056	1.24	1.76	0.73	0.82	0.88	0.58
5,5^-[Disulfanediylbis({3-[(carboxymethyl)amino]-3-oxo-1,2-propanediyl}imino)]bis(2-amino-5-oxopentanoic acid)	ME908025	0.39	0.50	0.88	1.64	1.38	1.22
1-Methylhistamine	ME908010	0.58	0.45	0.82	1.27	1.72	1.17
Acetylcarnitine	ME908029	0.45	0.61	0.78	1.38	1.51	1.27
N-[(15Z)-tetracosenoyl]sphing-4-enine-1-phosphocholine	ME908072	0.72	0.62	0.63	1.12	1.39	1.52
PC	ME908074	0.53	0.97	0.79	1.01	1.27	1.43
hercynine	ME908049	0.59	0.73	0.92	1.34	1.05	1.37
Taurine	ME908081	0.52	0.69	0.93	1.28	1.27	1.32
4-Aminobenzoic acid	ME908023	0.68	1.53	0.85	1.20	0.89	0.86
DL-Glutamic acid	ME908044	0.63	1.52	0.90	0.85	1.34	0.76
L-(+)-glutamine	ME908059	0.98	1.42	0.94	0.92	1.04	0.70
Histamine	ME908052	0.28	0.98	1.31	1.08	1.35	1.00
C4-Carnitine	ME908036	0.54	1.15	0.51	1.01	1.72	1.07
propionylcarnitine	ME908077	0.62	0.92	0.68	1.06	1.69	1.02
Adenosine monophosphate	ME908030	0.70	1.01	1.04	1.20	1.05	1.01
2-Methoxypyrazine	ME908017	0.81	0.95	0.92	0.87	1.45	1.01
L-(+)-Leucine	ME908060	0.82	1.21	0.89	1.08	1.15	0.85
DL-Citrulline	ME908043	0.65	1.24	0.73	1.20	1.33	0.86
L-(+)-Aspartic acid	ME908057	0.71	1.27	0.78	0.99	1.31	0.94
g-Butyrobetaine	ME908047	0.50	1.18	0.76	1.17	1.31	1.07
L-Palmitoylcarnitine	ME908062	0.34	1.21	0.81	1.02	1.42	1.20
L-(-)-Serine	ME908055	0.66	0.98	0.90	1.21	1.40	0.86
lys-leu	ME908065	0.52	1.08	0.84	1.05	1.59	0.93
L-Proline	ME908063	0.46	1.13	0.99	1.15	1.39	0.89
(R)-3-hydroxybutyrylcarnitine	ME908007	0.37	1.14	0.88	1.13	1.50	0.98
N(1)-acetylspermidine	ME908071	0.42	1.63	0.78	0.76	1.79	0.62
N-{3-[(4-Acetamidobutyl)amino]propyl}acetamide	ME908073	0.20	0.93	1.18	1.00	2.12	0.56
C14-Carnitine	ME908035	0.44	0.38	0.43	1.08	2.58	1.09
Urocanic acid	ME908083	1.18	0.75	0.24	1.47	2.02	0.34
MFCD09953737	ME908070	0.29	5.02	0.11	0.16	0.15	0.27
Ethylenediaminetetraacetic acid	ME908046	2.04	2.75	0.25	0.07	0.78	0.11
HEPES	ME908048	1.90	3.13	0.76	0.05	0.02	0.15

Factors:

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

Data matrix