Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolomic-based investigation on the effects of antifungal agents in Candida albicans (Study ST000243)

ESI positive ion mode (Analysis AN000379)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9	F10	F11	F12
3-METHYLADENINE	ME700443	11.11	0.13	0.11	0.14	0.14	0.14	0.16	0.14	0.14	0.14	0.12	0.15
UROCANATE	ME700409	6.43	0.33	0.60	0.45	0.48	0.39	0.52	0.43	0.44	0.38	0.50	1.05
DIETHANOLAMINE	ME700433	5.02	0.77	0.56	0.73	0.37	0.79	0.34	0.73	0.33	0.90	0.66	0.80
CYTIDINE	ME700376	5.53	0.56	0.46	0.51	0.45	0.71	0.74	0.75	0.68	0.74	0.36	0.47
CYTIDINE 2^,3^-CYCLIC MONO-PHOS-PHATE	ME700436	5.16	0.76	0.31	0.69	0.42	0.81	0.66	0.71	0.60	0.86	0.24	0.68
(S)-DIHYDROOROTATE	ME700447	0.90	1.77	0.09	2.37	0.06	1.66	0.13	1.35	0.08	1.28	0.16	2.14
Threonine	ME700414	0.78	1.29	1.09	1.21	0.33	2.08	1.25	1.21	0.34	1.00	0.57	0.85
L-CYSTEINE	ME700428	0.27	0.97	0.34	1.32	0.44	1.41	1.42	1.48	1.18	1.51	0.23	1.44
3^-CMP	ME700444	0.43	1.64	0.33	1.38	0.36	1.74	0.70	1.83	0.56	1.65	0.27	1.05
L-CYSTATHIONINE	ME700368	0.65	2.04	0.69	0.92	0.59	1.12	1.07	1.33	0.99	1.31	0.41	0.86
Aspartic acid_R1	ME700438	0.85	1.21	0.52	1.76	0.57	1.44	0.90	1.20	0.74	1.05	0.43	1.33
N-ACETYL-L-ALANINE	ME700362	1.01	1.21	0.58	1.13	0.49	1.44	0.89	1.63	0.70	1.32	0.53	1.06
5-AMINOLEVULINIC ACID	ME700385	0.66	1.55	0.62	1.10	0.63	1.22	0.85	1.27	0.73	1.67	0.59	1.10
4-IMIDAZOLEACETIC ACID	ME700406	0.70	1.20	0.60	1.18	0.67	1.32	0.91	1.36	0.97	1.55	0.50	1.05
Histidine	ME700432	0.62	1.35	0.61	1.21	0.63	1.34	0.87	1.26	0.83	1.53	0.55	1.19
GLYCINE	ME700373	0.68	1.53	0.62	1.21	0.56	1.37	0.83	1.43	0.72	1.46	0.57	1.01
Glutamine	ME700375	0.72	1.33	0.60	1.28	0.59	1.37	0.90	1.37	0.73	1.44	0.58	1.08
Proline	ME700352	0.75	1.25	0.59	1.29	0.57	1.41	0.82	1.43	0.67	1.39	0.63	1.18
NICOTINAMIDE MONONUCLEOTIDE	ME700419	0.57	1.27	0.55	1.23	0.57	1.51	1.08	0.99	0.96	1.75	0.44	1.07
S-(5^-ADENOSYL)-L-METHIONINE	ME700418	0.58	1.13	0.52	1.04	0.59	1.28	1.16	1.37	1.13	1.59	0.52	1.25
URIDINE	ME700410	1.45	1.09	0.49	0.94	0.50	1.39	0.92	1.57	0.98	1.37	0.36	0.95
PHOSPHOCHOLINE	ME700354	1.24	1.10	0.55	1.33	0.48	1.24	0.97	1.23	0.77	1.34	0.52	1.24
SUCCINATE	ME700351	1.23	1.16	0.56	1.09	0.43	1.19	0.89	1.35	0.58	1.43	0.72	1.38
3-AMINO-5-HYDROXYBENZOIC ACID	ME700446	1.50	0.74	0.61	1.67	0.91	1.22	0.90	1.00	1.01	1.32	0.51	0.61
3-HYDROXY-3-METHYLGLUTARATE	ME700389	2.25	1.29	0.68	0.93	0.68	1.41	0.70	1.03	0.73	0.87	0.69	0.74
THYMINE	ME700413	2.19	0.84	0.79	0.77	0.75	0.87	1.09	1.03	1.02	0.98	0.71	0.96
BETAINE	ME700402	1.61	1.02	0.80	0.90	0.75	0.98	1.02	1.08	0.91	1.13	0.73	1.06
URACIL	ME700345	1.92	1.18	0.73	1.01	0.69	1.10	0.77	1.20	0.76	1.02	0.67	0.98
NALPHA-ACETYL-L-LYSINE_R2	ME700420	1.42	0.83	1.35	0.99	1.35	0.70	1.54	0.48	0.95	0.50	1.10	0.79
GUANOSINE	ME700403	0.72	0.55	0.92	0.58	0.95	0.92	1.85	1.10	2.22	0.99	0.65	0.70
CITRATE	ME700398	0.76	0.54	0.78	0.83	0.90	0.98	1.67	1.02	1.37	1.03	1.09	1.02
ALLANTOIN	ME700399	0.67	0.49	1.07	0.67	1.06	1.00	1.52	1.05	1.70	0.84	0.93	1.01
HYPOXANTHINE	ME700372	0.58	0.73	0.78	0.71	0.96	1.11	1.58	1.24	1.73	1.03	0.72	0.84
D-GLUCOSE-6-PHOSPHATE	ME700392	1.25	0.63	1.00	0.63	1.08	0.75	1.54	0.79	1.51	0.85	1.26	0.79
SUCROSE	ME700405	0.99	0.43	1.15	0.56	1.25	0.71	1.75	0.66	1.57	0.96	1.10	0.86
ISOCITRIC ACID	ME700429	0.98	0.39	1.21	0.56	1.28	0.68	1.86	0.64	1.69	0.67	1.35	0.69
(R)-MALATE	ME700391	1.00	0.56	1.08	0.58	1.15	0.69	1.80	0.70	1.88	0.76	1.22	0.70
4-ACETAMIDOBUTANOATE	ME700442	0.88	0.74	1.13	0.56	1.32	0.77	2.15	0.77	1.73	0.74	0.75	0.46
L-HISTIDINOL	ME700426	1.06	0.68	0.94	0.84	0.86	1.00	2.09	1.02	1.51	0.72	0.80	0.47
D-(-)-ARABINOSE	ME700435	0.80	0.66	0.92	0.82	0.98	0.87	1.24	0.94	1.02	1.04	0.97	1.74
guanine	ME700343	0.72	0.82	0.79	0.84	0.80	1.24	1.20	1.59	1.18	1.18	0.74	0.90
ALPHA-AMINOADIPATE	ME700382	0.81	1.12	0.60	1.09	0.63	1.26	1.36	1.19	1.12	1.13	0.56	1.12
L-CARNITINE	ME700369	0.99	0.92	0.73	0.97	0.72	1.23	1.23	1.27	1.14	1.34	0.59	0.88
O-PHOSPHO-DL-SERINE	ME700357	0.91	1.02	0.76	0.99	0.74	1.23	1.33	1.20	1.01	1.21	0.64	0.96
Tyrosine	ME700346	0.86	1.10	0.77	0.96	0.76	1.16	1.20	1.27	1.01	1.25	0.74	0.92
N-ACETYL-DL-GLUTAMIC ACID	ME700363	0.76	0.90	0.68	1.08	0.64	1.34	1.44	1.34	1.07	1.29	0.57	0.89
NALPHA-ACETYL-L-LYSINE_R1	ME700421	0.79	1.17	0.69	1.07	0.69	1.26	1.33	1.22	1.09	1.34	0.56	0.77
1-AMINOCYCLOPROPANE-1-CARBOXYLATE	ME700390	0.80	1.08	0.70	1.09	0.66	1.24	1.21	1.27	1.01	1.31	0.60	1.02
N-METHYL-D-ASPARTIC ACID	ME700393	0.74	1.06	0.68	1.09	0.65	1.29	1.27	1.29	1.03	1.32	0.54	1.01
4-GUANIDINOBUTANOATE	ME700386	0.76	1.27	0.70	1.14	0.71	1.35	1.14	1.48	0.91	1.06	0.68	0.81
BETA-ALANINE	ME700381	0.81	1.07	0.63	1.19	0.58	1.36	1.16	1.45	0.86	1.29	0.57	1.02
L-ASPARAGINE	ME700370	0.75	1.19	0.64	1.20	0.62	1.33	1.07	1.36	0.86	1.38	0.61	1.00
L-SERINE	ME700366	0.76	1.21	0.68	1.16	0.68	1.31	1.01	1.29	0.87	1.32	0.69	1.02
SARCOSINE	ME700417	1.01	0.81	0.69	0.89	0.65	1.02	1.71	1.16	1.00	1.17	0.66	1.21
HYPOTAURINE_R1	ME700431	0.57	1.05	0.77	0.92	0.67	1.30	1.38	1.29	1.47	1.27	0.49	0.82
ADP	ME700439	0.76	1.03	0.66	0.95	0.67	1.18	1.59	1.02	1.45	1.30	0.61	0.83
NAD	ME700422	0.77	0.92	0.70	0.87	0.57	1.16	1.57	1.25	1.53	1.26	0.50	0.98
CITRULLINE	ME700379	0.80	0.84	0.94	0.87	0.89	1.15	1.67	1.06	1.49	0.98	0.67	0.64
3-UREIDOPROPIONATE	ME700388	0.96	0.84	0.82	0.85	0.78	1.07	1.68	1.05	1.38	1.15	0.64	0.78
N-ACETYLPUTRESCINE	ME700423	0.84	0.82	0.94	0.81	0.90	0.97	1.79	0.98	1.38	1.09	0.69	0.79
Aspartic acid_R2	ME700437	0.82	0.87	0.89	0.83	0.95	1.08	1.44	1.12	1.33	1.09	0.70	0.88
HYPOTAURINE_R2	ME700430	0.77	0.99	0.82	0.83	0.81	1.12	1.40	1.16	1.31	1.20	0.68	0.89
UDP	ME700401	0.89	0.82	0.73	0.98	0.71	1.07	1.48	1.09	1.33	1.25	0.66	1.06
4-AMINOBUTANOATE	ME700387	0.71	0.77	0.82	0.91	0.84	1.22	1.45	1.27	1.16	1.15	0.65	1.05
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE	ME700360	0.84	0.79	0.78	1.03	0.81	1.14	1.44	1.13	1.16	1.07	0.73	1.09
Tryptophan	ME700350	0.89	0.91	0.80	0.98	0.81	1.11	1.42	1.17	1.11	1.06	0.79	0.94
Tryptophan-NH3	ME700347	0.91	0.93	0.80	0.96	0.79	1.12	1.43	1.15	1.11	1.06	0.80	0.95
N-ACETYLNEURAMINATE	ME700361	1.09	0.94	1.00	0.98	1.10	0.95	1.44	1.04	1.31	0.47	1.16	0.53
Adenosine	ME700441	1.19	0.89	1.05	0.69	1.11	0.80	1.41	1.03	1.33	1.17	0.68	0.66
ADENINE	ME700383	1.23	0.84	1.32	0.71	1.28	0.66	1.32	0.80	1.21	0.92	0.93	0.77
SN-GLYCEROL 3-PHOSPHATE	ME700394	0.94	0.62	1.22	0.76	1.29	0.87	1.50	0.96	1.42	0.74	0.95	0.72
TAURINE_R1	ME700416	1.09	1.09	1.04	1.08	1.37	1.19	0.77	0.91	0.81	0.75	1.13	0.78
D-(+)-GLUCOSAMINE	ME700434	1.25	0.90	1.06	1.07	1.11	0.84	0.98	0.84	0.92	0.78	1.22	1.04
MANNOSE	ME700365	1.45	0.92	1.03	0.88	0.95	0.84	0.97	0.83	0.82	0.91	1.38	1.01
5-OXO-L-PROLINE	ME700384	1.09	1.13	0.80	1.18	0.83	1.19	1.07	1.26	0.83	0.84	0.89	0.89
UMP	ME700411	1.00	1.23	0.94	1.00	0.90	1.08	0.95	1.03	0.92	1.39	0.66	0.90
CYTOSINE	ME700397	1.32	0.97	0.96	1.02	0.96	0.93	1.10	1.01	1.07	1.13	0.63	0.91
ADENOSINE 5^-MONOPHOSPHATE	ME700440	1.10	1.10	1.03	0.77	1.00	0.91	1.16	1.17	1.00	1.16	0.81	0.79
CMP	ME700378	1.04	1.10	1.01	0.93	1.04	0.99	1.08	0.86	1.16	1.21	0.77	0.80
GLYCEROL	ME700374	1.51	1.01	1.00	0.92	1.05	0.86	1.35	0.98	0.95	0.70	0.93	0.73
NICOTINAMIDE	ME700359	1.36	0.88	1.09	0.88	0.90	0.77	1.31	0.90	0.93	0.77	1.16	1.05
2-AMINOPHENOL	ME700400	1.43	0.87	0.96	0.88	0.96	0.89	1.21	0.96	1.14	0.89	0.89	0.91
NICOTINATE	ME700358	1.35	0.78	0.89	0.90	0.89	0.95	1.28	1.05	1.02	0.85	0.99	1.03
3-AMINOISOBUTANOATE	ME700445	1.05	0.80	1.00	0.81	0.98	0.93	1.44	1.06	1.24	0.88	0.91	0.91
XYLITOL	ME700407	0.97	0.72	1.03	0.82	1.07	0.89	1.41	0.96	1.14	1.01	0.95	1.03
TRANS-CINNAMATE	ME700412	1.03	1.05	0.97	0.93	1.01	0.92	0.99	0.93	1.05	0.98	1.20	0.93
Leucine-D10	ME700427	1.06	1.02	1.02	0.95	0.93	1.02	0.94	1.01	0.95	1.00	1.03	1.05
Caffeine-D3	ME700380	0.93	0.98	0.99	1.04	1.01	1.03	0.98	1.01	1.02	0.99	1.02	1.00
Creatine-D3	ME700377	0.95	1.03	0.99	1.02	0.99	1.04	0.99	0.98	0.97	1.01	1.01	1.02
Tryptophan-2,3,3-D3	ME700349	0.96	1.01	0.97	1.04	0.99	1.02	1.03	1.00	1.01	0.99	1.00	0.99
Tryptophan-2,3,3-D3-NH3	ME700348	0.98	1.02	0.98	1.03	0.98	1.00	1.03	1.00	1.01	1.00	0.99	0.99
N(PAI)-METHYL-L-HISTIDINE	ME700364	0.98	0.90	0.94	0.90	1.00	1.10	1.18	1.16	1.07	1.08	0.77	0.92
arginine	ME700342	0.88	1.09	0.87	1.02	0.91	1.07	1.22	1.07	1.04	1.08	0.85	0.92
L-Isoleucine	ME700396	0.89	0.95	0.89	1.05	0.99	1.03	1.23	1.04	1.01	1.00	1.02	0.91
Valine	ME700408	0.93	0.98	0.95	0.96	0.93	1.01	1.24	1.07	0.99	1.03	0.93	0.98
HISTAMINE	ME700404	1.11	1.06	1.03	0.87	1.12	0.88	1.22	0.91	1.03	0.84	1.13	0.80
TAURINE_R2	ME700415	1.08	0.87	1.05	0.93	1.15	0.90	1.21	0.94	1.06	0.77	1.13	0.89
Phenylalanine	ME700356	1.08	0.86	0.89	1.01	0.87	1.07	1.31	1.07	0.97	0.88	1.00	0.99
Phenylalanine-HCOOH	ME700355	1.09	0.87	0.88	0.99	0.86	1.05	1.31	1.06	0.98	0.90	0.99	1.00
L-ALLOTHREONINE	ME700371	1.10	0.88	1.03	0.94	1.01	0.85	1.27	0.90	0.96	0.88	1.15	1.04
L-METHIONINE	ME700367	1.11	0.82	1.02	0.85	0.99	0.90	1.30	0.98	0.98	0.88	1.15	1.03
L-Leucine	ME700425	1.06	0.92	0.99	0.92	0.94	0.98	1.20	1.05	0.98	0.90	1.08	0.98
PYRIDOXINE	ME700395	1.03	0.89	0.97	0.93	1.01	0.94	1.34	1.00	1.01	0.85	1.04	0.98
URATE	ME700344	3.98	0.34	0.67	0.34	1.50	0.52	1.20	0.57	1.23	0.43	0.59	0.62
N-ACETYL-L-LEUCINE	ME700424	2.53	0.69	0.91	0.78	0.93	0.75	1.51	0.79	1.27	0.53	0.90	0.43
PIPECOLATE	ME700353	3.16	0.91	0.54	0.88	0.52	0.95	0.77	1.02	0.70	1.08	0.53	0.95

Factors:

F1	Treatment:0.0625MIC \| Experiment:1
F2	Treatment:0.0625MIC \| Experiment:2
F3	Treatment:0.125MIC \| Experiment:1
F4	Treatment:0.125MIC \| Experiment:2
F5	Treatment:0.25MIC \| Experiment:1
F6	Treatment:0.25MIC \| Experiment:2
F7	Treatment:0.5MIC \| Experiment:1
F8	Treatment:0.5MIC \| Experiment:2
F9	Treatment:1.0MIC \| Experiment:1
F10	Treatment:1.0MIC \| Experiment:2
F11	Treatment:no drug \| Experiment:1
F12	Treatment:no drug \| Experiment:2

Data matrix