Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001764)

HILIC UNSPECIFIED ION MODE (Analysis AN002871)

Metabolite	Structure	F1	F2	F3	F4
GSH_13C2-15N-Ellmans	ME408170	1.05	NA	NA	0.75
trans-urocanic acid	ME408259	0.73	0.34	0.49	2.43
GSH_Ellmans	ME408171	0.77	0.01	NA	1.44
Phenylacetyl glutamine	ME408224	0.22	0.19	0.42	1.59
hypoxanthine	ME408184	0.63	NA	0.45	1.96
adenosine	ME408087	0.20	NA	NA	1.80
NADPH	ME408215	0.33	NA	0.17	2.16
GSSG	ME408173	0.55	2.50	1.00	0.22
xanthine	ME408274	0.43	2.55	0.74	0.58
aspartate-13C6-15N4	ME408104	0.43	2.72	0.70	0.47
dihydroxyacetone_phosphate	ME408140	0.38	2.81	0.67	0.48
Carbamoyl Aspartate	ME408113	0.30	1.69	0.76	0.46
pseudouridine	ME408239	0.55	2.15	0.91	0.61
aspartate	ME408103	0.51	2.35	0.81	0.59
uric acid	ME408269	0.53	2.25	0.84	0.62
folate	ME408148	0.66	1.86	1.09	0.57
glycerate	ME408163	0.71	1.91	0.91	0.63
acetoacetate	ME408077	0.48	0.05	1.57	0.56
cystine	ME408133	0.65	0.36	2.16	0.83
ascorbate	ME408101	0.92	0.00	1.36	1.67
2-hydroxyglutarate	ME408067	0.93	0.02	1.49	1.47
Itaconic Acid	ME408190	0.92	0.01	1.49	1.48
3-methyl-2-oxopentanoic_acid	ME408072	0.90	0.54	1.24	1.29
sarcosine	ME408248	0.78	0.55	1.37	1.29
GDP	ME408156	0.77	0.40	1.27	1.55
ADP	ME408088	0.80	0.50	1.24	1.44
Alpha-Ketoglutarate	ME408094	0.74	0.59	1.22	1.43
GMP	ME408168	0.51	0.38	1.49	1.22
uridine	ME408270	0.74	0.41	1.58	1.33
6-phosphogluconate	ME408076	0.81	0.36	1.62	1.14
succinate	ME408253	0.85	0.34	1.54	1.25
guanidinoacetate	ME408175	0.95	NA	0.93	1.12
AMP	ME408096	1.10	0.24	1.20	1.36
anserine	ME408097	1.16	0.40	1.17	1.20
S-methylcysteine	ME408252	1.17	0.36	1.19	1.24
guanine	ME408176	0.99	0.04	0.77	1.54
2-aminoadipate	ME408064	1.02	0.14	0.92	1.82
cytosine	ME408135	1.25	0.08	0.75	1.81
adenine	ME408086	0.30	NA	0.89	2.03
cytidine	ME408134	0.68	0.35	1.01	1.89
dTMP	ME408142	0.43	0.98	1.49	1.54
GSH	ME408169	0.00	0.91	1.15	1.34
NADH	ME408213	0.98	0.89	0.44	1.42
NADP	ME408214	0.85	1.29	1.28	0.64
Pyridoxal	ME408240	0.61	1.50	1.30	0.73
2,3-BPG	ME408063	0.62	1.59	0.97	0.98
glutamate-13C5,15N	ME408160	0.74	1.55	0.94	0.89
F6P_G1P	ME408146	0.70	1.60	0.96	0.87
Sedoheptulose-7-phosphate	ME408249	0.71	1.60	0.97	0.85
taurine	ME408254	0.67	1.54	1.04	0.91
dTTP	ME408143	0.67	1.52	1.10	0.84
Glucose 6-phosphate	ME408158	0.68	1.58	1.05	0.83
Methionine sulfoxide	ME408201	0.78	1.70	0.92	0.73
trimethyllysine	ME408260	0.67	1.81	0.89	0.80
xanthosine	ME408275	0.69	1.67	0.91	0.80
UDP-hexose	ME408266	0.65	1.70	0.97	0.84
Ribose 1-phosphate	ME408243	0.66	1.73	0.92	0.85
Ribose_Ribulose 5-phosphate	ME408244	0.65	1.73	0.92	0.85
erythrose_4-phosphate	ME408145	0.56	1.39	0.77	0.77
phosphoserine	ME408231	0.59	1.33	0.97	0.82
serine-13C3-15N	ME408251	0.84	1.29	0.80	1.13
acetylserine	ME408085	0.77	1.45	0.89	0.99
dCytidine	ME408137	0.70	1.38	0.94	1.09
acetylmethionine	ME408084	0.72	1.37	0.87	1.13
N-acetylmethionine	ME408209	0.73	1.36	0.87	1.13
Butyrylcarnitine	ME408110	0.72	1.22	1.24	0.91
phosphoenolpyruvate	ME408229	0.77	1.20	1.16	0.94
CTP	ME408127	0.74	1.24	1.16	0.94
UTP	ME408271	0.74	1.25	1.15	0.94
ATP	ME408106	0.68	1.40	1.15	0.89
GTP	ME408174	0.69	1.32	1.19	0.90
orotate	ME408220	0.81	1.33	1.15	0.79
3-phosphoglycerate	ME408073	0.74	1.37	1.13	0.86
niacinamide	ME408216	0.78	1.31	1.14	0.86
inosine	ME408187	0.66	1.45	1.16	0.99
CDP	ME408116	0.73	1.31	1.09	0.97
O-phosphoethanolamine	ME408218	0.77	1.27	1.01	1.03
citrate	ME408120	0.74	1.45	1.06	0.86
glutamate	ME408159	0.74	1.47	0.99	0.90
GAR	ME408155	0.81	1.34	0.97	0.97
AICAR	ME408090	0.71	1.41	1.02	0.98
fumarate	ME408152	0.77	1.37	1.04	0.91
malate	ME408198	0.76	1.41	0.99	0.94
Glycerol 3-Phosphate	ME408164	0.75	1.37	1.00	0.97
hydroxyproline_gammaALA	ME408182	0.75	1.38	1.02	0.94
Piridoxine	ME408234	0.71	1.17	1.33	0.88
cis-aconitate	ME408119	0.77	1.05	1.30	0.93
creatinine	ME408126	0.74	1.09	1.32	0.94
hypotaurine	ME408183	0.73	0.76	1.27	1.29
glutamine	ME408161	0.84	0.76	1.14	1.26
UMP	ME408267	0.89	0.70	1.17	1.23
Pipecolate	ME408233	0.80	0.79	1.23	1.19
lysine	ME408196	0.87	0.82	1.15	1.17
tyrosine	ME408262	0.83	0.86	1.12	1.22
dUMP	ME408144	0.78	0.98	1.13	1.27
leucine-13C6-15N	ME408195	0.83	0.97	0.99	1.25
Isoleucine-13C6-15N	ME408189	0.81	0.96	1.02	1.25
leucine	ME408194	0.81	0.97	1.01	1.25
PRPP	ME408238	0.80	0.98	1.05	1.22
asparagine	ME408102	0.81	0.97	1.06	1.19
threonine	ME408256	0.82	0.95	1.08	1.19
threonine-13C4-15N	ME408257	0.82	1.01	1.05	1.16
tyrosine-13C9-15N	ME408263	0.81	0.98	1.09	1.15
histidine	ME408178	0.89	0.88	1.03	1.21
methionine-13C5-15N	ME408202	0.81	0.92	1.01	1.30
valine	ME408272	0.81	0.89	1.03	1.30
alanine-13C3-15N	ME408092	0.79	0.86	1.07	1.31
methionine	ME408200	0.83	0.85	1.06	1.28
Glycerophosphocholine	ME408165	0.74	0.91	1.24	1.24
choline	ME408118	0.79	0.97	1.14	1.14
proline	ME408235	0.82	0.96	1.14	1.11
phosphocholine	ME408227	0.76	0.98	1.20	1.14
arginine	ME408098	0.80	0.93	1.24	1.13
phosphocreatine	ME408228	0.78	0.91	1.18	1.16
cAMP	ME408112	0.82	1.18	0.95	1.12
S-Adenosyl-L-Homocysteine	ME408246	0.81	1.16	1.01	1.07
lactatic_acid	ME408193	0.74	1.14	0.96	1.27
palmitate	ME408221	0.78	1.07	0.97	1.24
isoleucine	ME408188	0.77	1.08	1.02	1.19
valine-13C5-15N	ME408273	0.79	1.08	1.02	1.16
Pantothenate	ME408223	0.91	1.08	1.11	0.93
CMP	ME408122	0.79	1.22	1.11	1.11
dATP	ME408136	0.76	1.11	1.19	1.00
propionylcarnitine	ME408237	0.79	1.14	1.15	0.98
alanine	ME408091	0.81	1.10	1.12	1.03
C5 Carnitines	ME408111	0.78	1.12	1.13	1.03
phosphoethanolamine	ME408230	0.78	1.13	1.10	1.05
carnitine	ME408114	0.75	1.13	1.13	1.08
NAD+	ME408212	0.73	1.14	1.14	1.07
methylthioadenosine	ME408203	0.76	1.17	1.10	1.05
UDP-GlcNAc	ME408265	0.76	1.17	1.09	1.05
acetylcarnitine	ME408081	0.77	1.16	1.11	1.03
FAD	ME408147	0.76	1.16	1.12	1.04
phenylalanine	ME408225	0.80	1.13	1.07	1.06
arginine-13C6,15N4	ME408099	0.83	1.12	1.06	1.04
argininosuccinate	ME408100	0.84	1.09	1.08	1.04
glycine	ME408166	0.79	1.09	1.07	1.11
beta-alanine	ME408107	0.82	1.07	1.07	1.09
proline-13C5-15N	ME408236	0.81	1.08	1.07	1.10
IMP	ME408185	0.80	1.04	1.10	1.08
cystathionine	ME408128	0.83	1.07	1.08	1.06
acetylaspartate	ME408080	0.82	1.06	1.09	1.07
UDP	ME408264	0.82	1.07	1.09	1.06
Acetyl CoA	ME408078	0.75	1.04	1.20	1.07
lysine-13C6-15N2	ME408197	0.82	1.04	1.14	1.04
betaine	ME408108	0.80	1.04	1.14	1.07
creatine	ME408125	0.79	1.06	1.16	1.06
carnosine	ME408115	0.93	1.15	0.94	1.02
homocitrulline	ME408180	0.96	1.08	0.93	1.04
histidine-13C6-15N3	ME408179	0.90	0.99	1.02	1.11
N-acetylglutamine	ME408208	0.91	0.95	1.04	1.12
S-Adenosyl-L-methionine	ME408247	0.97	0.86	1.08	1.09
biotin	ME408109	0.96	0.92	1.09	1.03
folic_acid	ME408149	0.99	0.94	1.09	0.97
phenylalanine-13C9-15N	ME408226	0.85	0.90	0.75	1.52
N-acetylglutamate	ME408207	0.81	0.81	0.95	1.47
acetylglutamate	ME408082	0.81	0.87	0.95	1.40
serine	ME408250	0.79	0.85	0.96	1.43
kynurenine	ME408192	0.87	0.82	0.90	1.41
tryptophan	ME408261	0.86	0.84	0.97	1.35
citrulline	ME408121	0.92	0.62	1.02	1.41
3-methyl-2-oxobutyrate	ME408071	0.83	0.75	1.07	1.37
ornithine	ME408219	0.89	0.71	1.01	1.38
Kynurenic Acid	ME408191	1.20	0.79	0.91	1.11
gamma-glutamyl-alanine	ME408154	1.08	0.63	0.95	1.27
N2-acetyllysine	ME408205	0.98	0.65	1.07	1.25
formyl_methionine	ME408150	0.29	1.36	1.87	0.52
5-Hydroxyindole-3-Acetate	ME408075	NA	0.99	1.08	NA
glucose	ME408157	0.00	1.04	1.71	NA
GSH-13C2_15N	ME408172	NA	1.18	0.30	NA
Coenzyme A	ME408124	NA	1.19	0.88	0.54
pyruvate	ME408241	NA	1.31	0.72	1.01

Factors:

F1	Factor:-
F2	Factor:buffer B
F3	Factor:buffer C
F4	Factor:buffer C_Ellmans

Data matrix