Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002513)

HILIC POSITIVE ION MODE (Analysis AN004138)

Metabolite	Structure	F1	F2	F3	F4	F5
Guanidinosuccinic acid	ME606183	NA	1.07	0.99	0.92	1.01
Citrulline	ME606158	NA	0.91	1.08	1.00	1.00
Glutathione	ME606180	NA	0.94	1.14	1.17	0.76
1-Stearoyl-2-arachidonyl-sn-glycero-3-phosphocholine	ME606105	NA	1.07	1.04	0.85	1.00
Methylguanidine	ME606088	NA	0.85	1.10	0.97	1.05
Methionine sulfoxide	ME606209	NA	0.83	1.36	0.82	0.88
Lysine	ME606203	NA	1.04	1.02	1.08	0.88
N-Methylhistidine	ME606222	NA	0.87	1.07	0.94	1.09
5,8,11-Eicosatriynoic acid	ME606129	NA	1.02	1.07	0.89	0.99
5-Hydroxy-6E,8Z,11Z,14Z-eicosatetraenoic acid, 1,5-lactone	ME606130	NA	1.04	1.16	0.88	0.87
5^-Methylthioadenosine	ME606128	NA	0.83	1.04	1.32	0.87
Aminoadipic acid	ME606137	NA	0.95	1.10	1.03	0.90
Uridine	ME606285	NA	0.98	1.08	1.19	0.77
CAR 8:0	ME606244	NA	0.91	1.11	1.14	0.85
cis-4-Hydroxyproline	ME606127	NA	1.01	1.01	1.16	0.84
CAR DC3:0	ME606204	NA	0.90	1.02	1.09	1.01
CAR 4:0	ME606070	NA	0.91	1.08	1.01	0.99
CAR 4:0;3Me	ME606198	NA	0.84	1.14	1.01	0.99
Methionine	ME606208	NA	0.96	1.07	1.07	0.90
CAR 6:0	ME606188	NA	0.89	1.21	1.04	0.83
CAR 3:0	ME606259	NA	0.93	1.08	0.97	1.00
CAR 20:4	ME606144	NA	0.98	1.06	1.06	0.91
CAR 4:0;3OH	ME606116	NA	1.02	1.17	0.91	0.85
GMP	ME606185	NA	0.44	0.64	2.28	0.87
5-Methylcytidine	ME606133	NA	0.94	0.91	1.17	1.04
Sphinganine 1-phosphate	ME606167	NA	0.95	1.09	1.09	0.87
N-6-Trimethyllysine	ME606237	NA	0.74	0.93	1.04	1.31
Methacholine	ME606207	NA	1.04	1.29	0.79	0.78
1-Methyl nicotinamide	ME606091	NA	0.88	0.96	1.07	1.12
Creatine	ME606159	NA	0.97	1.04	0.98	0.99
Creatinine	ME606160	NA	0.99	0.98	0.93	1.09
N6-(1-Iminoethyl)-lysine	ME606234	NA	1.18	0.95	1.22	0.70
alpha-Ionone	ME606292	NA	1.05	0.49	2.36	0.48
Sphingosine 1-phosphate	ME606168	NA	0.98	1.06	1.09	0.88
Thiazolidine-4-carboxylic acid	ME606276	NA	0.78	1.07	1.45	0.77
Ornithine	ME606246	NA	1.06	1.09	0.96	0.86
3-Methylcytidine	ME606119	NA	1.03	1.01	1.06	0.91
Cystathionine	ME606161	NA	0.93	1.07	1.18	0.85
LPE 16:0/0:0	ME606100	NA	0.94	1.05	1.12	0.90
Alanine	ME606142	NA	0.94	1.07	0.99	0.98
LPC P-16:0 or LPC O-16:1	ME606076	NA	1.03	1.11	0.93	0.90
Ergothioneine	ME606173	NA	0.89	1.04	0.70	1.29
gamma-Glutamyltyrosine	ME606296	NA	0.99	1.15	0.85	0.95
1-Palmitoyl-2-myristoyl-sn-glycero-3-phosphocholine	ME606102	NA	0.93	1.00	1.05	1.03
1-O-Hexadecyl-2-O-(5Z,8Z,11Z,14Z,17Z-eicosapentaenoyl)-sn-glyceryl-3-phosphorylcholine	ME606094	NA	1.04	1.12	0.84	0.94
1-O-Hexadecyl-2-O-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glyceryl-3-phosphorylcholine	ME606093	NA	1.04	1.05	0.91	0.96
1-Oleoyl-2-myristoyl-sn-glycero-3-phosphocholine	ME606095	NA	1.00	1.05	0.96	0.97
LPE 18:2	ME606310	NA	0.93	1.08	1.02	0.96
2-Aminocaprylic acid	ME606113	NA	0.90	1.06	0.87	1.13
CAR 2:0	ME606139	NA	1.02	1.01	1.01	0.96
N5-(1-Iminoethyl)-ornithine	ME606232	NA	1.26	1.05	0.93	0.74
3-Methylhistidine	ME606120	NA	0.99	1.05	0.90	1.03
N(2)-Acetyllysine	ME606236	NA	0.88	1.17	0.83	1.05
PC O-18:1/22:6	ME606077	NA	1.03	1.06	0.93	0.96
Cysteine-S-sulfate	ME606265	NA	0.76	0.95	1.14	1.19
Xanthine	ME606288	NA	0.85	0.92	1.10	1.17
1,2-Diarachidonoyl-sn-glycero-3-phosphocholine	ME606072	NA	1.01	1.09	1.03	0.86
PC 16:0/22:6	ME606099	NA	1.03	1.04	1.10	0.85
Hemin cation	ME606187	NA	0.90	0.91	1.20	1.05
Histamine	ME606190	NA	1.13	0.90	1.11	0.90
1,2-Dilinoleoyl-sn-glycero-3-phosphocholine	ME606073	NA	1.04	1.06	0.94	0.94
LPC O-16:0	ME606085	NA	1.05	1.22	0.79	0.85
Homocitrulline	ME606297	NA	0.85	1.09	0.92	1.11
Hypoxanthine	ME606193	NA	0.87	1.00	0.99	1.15
Isoleucine	ME606197	NA	0.97	0.99	1.10	0.96
Kynurenine	ME606200	NA	1.11	1.09	0.78	0.96
Pro-Gly	ME606256	NA	1.00	1.30	0.88	0.74
Gly-Val	ME606181	NA	0.72	1.34	0.97	0.89
Thiamine	ME606275	NA	0.51	0.91	0.92	1.66
Urocanic acid	ME606286	NA	0.91	0.98	1.14	0.99
PC 16:1/16:1	ME606074	NA	1.01	1.09	0.95	0.92
Serotonin	ME606266	NA	1.15	1.14	0.92	0.74
Ophthalmic acid	ME606243	NA	0.98	1.25	0.79	0.89
Riboflavin	ME606262	NA	1.03	0.92	1.14	0.96
CAR 14:0	ME606210	NA	1.01	1.04	1.15	0.83
5-Methylcytosine	ME606132	NA	0.97	1.03	0.97	1.01
1-Behenoyl-2-hydroxy-sn-glycero-3-phosphocholine	ME606081	NA	1.01	1.07	1.01	0.90
3-Methylcrotonylglycine	ME606118	NA	1.04	1.13	1.17	0.67
5-Hydroxyindole	ME606131	NA	0.18	2.97	0.14	0.14
Tryptophan	ME606280	NA	1.04	1.05	0.91	0.97
Taurocholic acid	ME606274	NA	1.02	0.87	0.52	1.53
S-Adenosylmethionine	ME606264	NA	1.12	1.06	1.23	0.62
Choline	ME606157	NA	1.01	1.04	0.99	0.95
Uracil	ME606283	NA	0.94	1.08	1.08	0.90
L-Metanephrine	ME606206	NA	0.94	0.97	0.78	1.27
Sphinganine	ME606268	NA	0.74	1.03	1.38	0.92
Homoarginine	ME606192	NA	1.06	1.04	0.98	0.92
Cysteine-glutathione disulfide	ME606162	NA	0.89	1.00	1.39	0.80
PC 16:0/18:2	ME606101	NA	1.01	1.03	0.99	0.96
Cytosine	ME606165	NA	0.92	1.20	0.84	0.97
Dimethylarginine	ME606212	NA	0.87	1.07	1.05	1.01
PC O-18:1/20:4	ME606078	NA	1.03	1.06	0.88	1.00
delta(5)-Hydroxylysine	ME606293	NA	1.04	0.97	1.28	0.77
D-erythro-N-stearoylsphingosine	ME606166	NA	0.77	1.03	1.30	0.96
Cystine	ME606163	NA	1.06	0.88	1.47	0.71
Ectoine	ME606294	NA	0.79	0.97	1.18	1.10
Cytidine	ME606164	NA	1.04	0.95	1.03	1.00
Epigallocatechin	ME606172	NA	0.90	1.18	1.12	0.79
1-Hexadecyl-2-(5Z,8Z,11Z,14Z-eicosatetraenoyl)-sn-glycero-3-phosphocholine	ME606083	NA	1.10	1.06	0.81	0.98
1-Heptadecanoyl-sn-glycero-3-phosphocholine	ME606082	NA	1.00	1.05	1.02	0.92
Glu-Thr	ME606176	NA	1.01	1.12	0.98	0.86
Sucrose	ME606272	NA	1.11	1.02	0.98	0.88
Glucose 6-phosphate	ME606177	NA	1.21	1.11	0.76	0.85
Hexanoylglycine	ME606189	NA	0.99	1.11	1.28	0.65
Carnosine	ME606156	NA	0.93	0.94	1.05	1.11
Choline phosphate	ME606254	NA	0.83	1.12	0.97	1.05
S-Adenosylhomocysteine	ME606263	NA	1.19	0.95	1.38	0.56
CAR 4:0;OH,Me	ME606069	NA	0.97	1.01	1.04	0.99
N6-Methyladenosine	ME606135	NA	0.79	1.06	0.87	1.25
Normetanephrine	ME606170	NA	1.08	1.11	0.90	0.87
sn-Glycero-3-phosphocholine	ME606267	NA	1.04	1.05	0.95	0.94
N-Acetylhistidine	ME606217	NA	0.81	1.08	0.92	1.15
Nicotinamide N-oxide	ME606240	NA	1.28	1.11	0.84	0.71
H-gamma-glutamyl-glutamine	ME606186	NA	1.11	1.01	1.12	0.78
Leucine, methyl ester	ME606201	NA	0.97	1.19	0.99	0.81
Guanine	ME606184	NA	0.91	0.96	1.22	0.95
Histidine	ME606191	NA	0.97	1.11	0.99	0.90
Guanidoacetic acid	ME606182	NA	0.90	1.05	1.01	1.02
N-Acetylphenylalanine	ME606219	NA	0.91	0.93	0.93	1.23
Taurine	ME606273	NA	1.00	1.04	1.01	0.95
Nicotinic acid	ME606242	NA	0.77	1.01	0.77	1.41
Urea	ME606284	NA	1.00	1.00	0.97	1.01
PC 18:1/18:1	ME606075	NA	1.03	0.99	0.92	1.05
N-Acetylornithine	ME606229	NA	0.99	1.13	1.02	0.83
Ribothymidine	ME606134	NA	0.80	0.84	1.23	1.20
Glutamine	ME606179	NA	1.03	1.04	1.04	0.89
Phencyclidine	ME606251	NA	0.82	1.01	1.54	0.73
N(6)-Methyllysine1	ME606238	NA	0.91	1.10	1.16	0.84
7,8-Dihydrobiopterin	ME606136	NA	0.98	1.08	1.24	0.74
N(6)-Methyllysine	ME606224	NA	0.97	1.01	1.20	0.86
N-Acetylcarnosine	ME606215	NA	1.05	1.27	0.82	0.78
Threonine	ME606278	NA	0.96	1.13	0.97	0.91
N-Acetyl-leucine (double check)	ME606216	NA	0.87	1.00	1.13	1.02
UMP	ME606282	NA	0.45	0.77	2.00	0.97
N-Methylisoleucine	ME606223	NA	0.69	0.92	1.35	1.13
Pipecolic acid	ME606255	NA	1.00	1.08	0.90	0.98
PC 18:3/18:3	ME606071	NA	0.93	1.14	1.01	0.89
Pelargonidin	ME606228	NA	0.97	1.05	0.80	1.13
LPA 16:0/0:0	ME606103	NA	0.99	1.04	1.04	0.93
Phenylacetylglycine	ME606252	NA	0.92	1.05	1.06	0.97
CAR 16:0	ME606248	NA	0.98	1.03	1.14	0.87
N-Acetylmethionine	ME606218	NA	0.88	0.99	1.20	0.98
N,N-Diethyl-2-aminoethanol	ME606211	NA	0.91	1.17	1.05	0.84
Aspartic acid	ME606151	NA	1.03	1.21	0.97	0.75
P-Aminobenzoic acid	ME606122	NA	0.89	0.95	1.30	0.93
SM 18:1;O2/22:0	ME606221	NA	1.26	0.96	0.91	0.85
N-Methyl-proline	ME606225	NA	0.87	1.50	0.63	0.83
Pyridoxamine	ME606261	NA	0.71	0.89	1.06	1.37
CAR 10:0	ME606171	NA	1.00	0.99	1.22	0.84
Proline	ME606257	NA	0.91	1.07	0.95	1.03
Ureidopropionic acid	ME606121	NA	0.88	1.03	1.26	0.88
Nicotinamide riboside	ME606241	NA	0.91	1.01	1.09	1.01
Spermidine	ME606271	NA	0.92	1.18	1.18	0.72
CAR 18:2	ME606202	NA	1.00	0.97	1.22	0.86
2-Amino-2-deoxy-D-mannose	ME606205	NA	1.03	1.10	1.09	0.79
Phenylalanine	ME606253	NA	0.98	1.02	1.09	0.92
Serine	ME606270	NA	0.95	1.06	0.92	1.04
gamma-Glu-epsilon-Lys	ME606295	NA	1.02	1.07	1.04	0.85
AMP	ME606138	NA	0.45	0.76	2.26	0.83
Asp-Arg	ME606148	NA	0.98	1.06	0.90	1.03
CAR 16:0;OH	ME606117	NA	1.00	1.12	1.04	0.83
CAR 18:1	ME606245	NA	1.04	0.98	1.19	0.84
Ethanolamine	ME606174	NA	0.98	1.05	1.03	0.93
Palmitoyleicosapentaenoyl phosphatidylcholine	ME606249	NA	1.00	1.01	1.01	0.99
1-Methylhistamine	ME606090	NA	0.91	0.92	1.61	0.70
1-Stearoyl-2-myristoyl-sn-glycero-3-phosphocholine	ME606108	NA	0.83	0.96	1.21	1.06
1-Methyladenosine	ME606087	NA	0.98	1.00	1.22	0.84
1-Methylguanosine	ME606089	NA	0.94	0.94	1.30	0.89
1-Lignoceroyl-2-hydroxy-sn-glycero-3-phosphocholine	ME606086	NA	1.05	1.07	0.87	0.96
3-Dehydroxycarnitine	ME606169	NA	0.99	0.90	0.86	1.24
(2/3)-amino(iso)butyric acid	ME606068	NA	0.87	0.98	1.12	1.06
2-(5-Oxovaleryl)phosphatidylcholine	ME606112	NA	0.94	1.13	0.96	0.94
1H-Indole-3-carboxaldehyde	ME606195	NA	0.96	1.01	1.12	0.94
2-Methylquinolin-8-ol	ME606115	NA	1.15	1.14	0.92	0.75
2-Arachidonoyl-1-palmitoyl-sn-glycero-3-phosphoethanolamine	ME606114	NA	0.77	0.93	1.29	1.08
1-Pentadecanoyl-sn-glycero-3-phosphocholine	ME606104	NA	1.10	1.01	0.99	0.90
1-Myristoyl-sn-glycero-3-phosphocholine	ME606092	NA	1.03	1.11	0.87	0.95
1-Palmitoyl-2-azelaoylphosphatidylcholine	ME606098	NA	0.80	1.17	0.98	1.01
1-Stearoyl-2-hydroxy-sn-glycero-3-phosphoethanolamine	ME606107	NA	0.92	1.08	1.08	0.92
Asparagine	ME606150	NA	1.00	1.12	0.94	0.90
N8-Acetylspermidine	ME606235	NA	0.88	0.97	1.48	0.77
Carnitine	ME606155	NA	0.99	1.03	0.89	1.07
N(6),N(6)-Dimethyl-lysine	ME606233	NA	0.80	1.09	0.97	1.12
Glu-Arg	ME606175	NA	1.01	1.18	0.94	0.82
LPC 22:1	ME606307	NA	0.79	1.10	1.25	0.89
Inosine	ME606196	NA	0.86	0.97	1.21	1.01
Pro-hydroxyPro	ME606258	NA	0.93	0.99	1.19	0.94
Sarcosine	ME606269	NA	0.90	1.17	0.94	0.94
LPC P-18:0 or LPC O-18:1	ME606079	NA	1.05	1.11	0.97	0.85
Imidazoleacetic acid	ME606125	NA	0.96	0.88	1.08	1.13
N6-Acetyllysine	ME606230	NA	0.88	1.20	0.92	0.94
Thr-Glu	ME606277	NA	0.83	1.19	1.30	0.70
LPC 24:1	ME606309	NA	1.03	1.06	0.94	0.94
N-Acetyl-tryptophan	ME606220	NA	0.90	1.02	0.77	1.26
1H-Indole-3-acetamide	ME606194	NA	1.07	0.88	1.10	0.99
4-Guanidinobutanoic acid	ME606123	NA	0.83	1.08	1.13	0.97
4-Hydroxyquinoline	ME606124	NA	0.96	0.95	0.94	1.15
4-Pyridoxic acid	ME606126	NA	0.94	1.16	1.36	0.58
Arginine, methyl ester	ME606146	NA	1.16	0.95	1.14	0.78
15-Hydroperoxy-5Z,8Z,11Z,13E-eicosatetraenoic acid	ME606109	NA	0.99	1.09	0.96	0.94
1-Hexadecyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphocholine	ME606084	NA	1.02	1.00	0.96	1.02
CAR 12:0	ME606298	NA	1.02	1.00	1.19	0.83
Glutamic acid	ME606178	NA	0.88	1.10	1.03	0.98
Adenosine	ME606141	NA	0.80	0.82	1.73	0.84
LPC 18:3	ME606302	NA	1.06	1.02	0.99	0.93
Xanthosine	ME606289	NA	1.05	1.03	1.19	0.77
N-Acetylserotonin	ME606214	NA	1.20	1.04	0.98	0.78
LPC 16:1	ME606299	NA	1.04	1.05	0.93	0.96
LPC 19:0	ME606303	NA	1.00	1.02	1.08	0.92
Pantothenic acid	ME606250	NA	0.94	0.92	1.18	1.02
LPC 18:1/0:0	ME606096	NA	1.00	1.00	1.02	0.98
Argininosuccinic acid	ME606147	NA	1.01	1.02	0.73	1.17
Betaine aldehyde cation	ME606153	NA	1.00	0.98	1.17	0.88
Arginine	ME606145	NA	0.98	1.03	1.03	0.96
Biliverdin	ME606154	NA	1.04	1.10	0.91	0.92
LPC 22:6	ME606308	NA	1.07	0.97	1.10	0.89
Xanthurenic acid	ME606290	NA	1.03	1.33	0.73	0.79
LPE 18:1/0:0	ME606097	NA	0.91	1.07	1.01	1.00
Tyrosine	ME606281	NA	0.92	1.06	0.98	1.02
Thymine	ME606279	NA	0.95	0.98	1.13	0.97
N-Acetylglutamine	ME606231	NA	0.80	0.99	1.11	1.12
Valine	ME606287	NA	0.95	1.01	1.05	1.00
SM 18:1;O2/16:0	ME606247	NA	1.05	1.10	0.81	0.98
alpha-Asp-Lys	ME606291	NA	1.05	1.00	0.99	0.95
LPC 20:5	ME606306	NA	1.05	0.94	0.93	1.08
Deoxycytidine	ME606110	NA	0.96	0.97	1.05	1.03
N-Methyl-valine	ME606226	NA	0.95	1.01	1.09	0.96
LPC 18:2	ME606301	NA	1.05	0.98	0.98	0.99
Triethanolamine	ME606111	NA	0.20	1.66	1.81	0.36
LPC 18:0/0:0	ME606106	NA	0.99	1.04	0.98	0.97
1-Arachidoyl-2-hydroxy-sn-glycero-3-phosphocholine	ME606080	NA	1.01	1.06	1.10	0.84
Kynurenic acid	ME606199	NA	0.96	1.34	0.76	0.83
Niacinamide	ME606239	NA	0.87	0.97	1.21	1.00
LPC 20:4	ME606305	NA	1.10	0.98	0.89	1.01
Putrescine	ME606260	NA	0.98	1.03	0.97	1.01
SM 18:1;O2/18:0	ME606213	NA	1.08	1.08	0.80	0.98
Acetylcholine	ME606140	NA	0.71	1.11	0.61	1.47
N-Oleoyl-D-erythro-sphingosylphosphorylcholine	ME606227	NA	1.11	1.07	0.81	0.94
LPC 16:2	ME606300	NA	1.06	1.21	0.82	0.83
LPC 20:1	ME606304	NA	1.01	1.06	0.94	0.97
Anserine	ME606143	NA	0.93	1.06	0.83	1.14
Asp-His	ME606149	NA	1.06	0.95	1.01	0.99
Betaine	ME606152	NA	0.96	1.02	0.99	1.02

Factors:

F1	SampleType:- \| Group:-
F2	SampleType:Serum \| Group:El15644
F3	SampleType:Serum \| Group:El2243
F4	SampleType:Serum \| Group:ElAB12n2
F5	SampleType:Serum \| Group:GF

Data matrix