Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002936)

HILIC NEGATIVE ION MODE (Analysis AN004816)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7
tartrate	ME761461	0.79	0.41	6.30	NA	NA	0.04	0.04
sucrose	ME761399	0.09	0.09	0.81	0.38	0.12	0.33	4.88
trehalose	ME761400	0.08	0.11	1.05	0.41	0.11	0.37	4.86
orotate	ME761332	0.35	0.35	0.90	0.21	0.12	1.40	3.68
Cellobiose	ME761401	0.61	0.53	0.96	0.69	0.28	0.48	3.21
uracil	ME761302	0.50	0.57	0.87	0.62	0.29	1.06	3.10
Hydroxyphenylacetic acid	ME761330	1.45	1.57	2.69	0.01	NA	0.05	0.07
quinolinate	ME761340	0.89	1.11	2.81	0.03	NA	0.06	NA
Hydroxyisocaproic acid	ME761317	1.20	1.30	1.57	NA	NA	0.05	0.06
Citraconic acid	ME761313	1.57	0.43	1.90	NA	NA	NA	0.11
2-phosphoglycerate_3	ME761468	1.65	1.12	2.39	NA	NA	0.11	0.04
nicotinate	ME761310	1.63	1.00	1.94	NA	NA	NA	0.05
Cholic acid	ME761413	1.56	0.68	0.49	NA	NA	NA	1.27
allantoate	ME761348	1.87	1.34	0.75	0.08	NA	0.57	1.40
N-carbamoyl-L-aspartate_neg	ME761351	1.87	1.35	0.71	0.06	NA	0.55	1.46
dCTP_neg	ME761424	1.49	0.78	0.35	1.06	NA	NA	NA
itaconic acid	ME761470	2.73	0.26	0.87	NA	NA	0.02	NA
oxaloacetate	ME761316	3.21	0.99	0.32	0.01	0.01	0.30	0.06
3-dehydroshikimate(1)	ME761464	1.52	1.39	NA	0.04	NA	0.12	0.08
Pyrophosphate	ME761352	1.35	1.67	0.81	NA	0.13	0.12	0.08
fumarate	ME761303	2.18	1.96	0.71	NA	0.00	0.12	0.03
glycolate	ME761297	1.97	0.93	0.35	NA	NA	0.55	0.04
dihydroorotate	ME761333	2.49	1.11	0.54	0.01	NA	NA	0.04
3-phosphoglycerate	ME761358	2.29	1.34	0.90	NA	NA	0.03	0.08
2_3-dihydroxybenzoic acid	ME761331	2.20	0.87	0.92	NA	NA	0.06	0.10
2-oxobutanoate/acetoacetate	ME761300	2.38	1.03	0.79	NA	0.02	0.01	0.08
citrate	ME761363	0.67	2.56	1.33	0.92	0.53	0.53	0.78
thymidine	ME761375	0.35	NA	0.83	1.61	1.02	1.06	0.71
hypoxanthine	ME761319	0.34	0.69	0.87	1.90	1.42	0.98	0.77
inosine	ME761387	0.19	0.21	0.93	1.97	1.49	1.07	1.13
glucono-D-lactone	ME761353	0.76	0.43	0.64	2.23	1.92	0.53	0.63
glucose	ME761469	0.80	0.55	0.88	1.89	1.77	0.57	0.55
xanthine	ME761329	0.81	0.52	0.90	1.92	1.69	0.55	0.61
hydroxyphenylpyruvate	ME761355	0.95	0.67	1.02	1.87	1.35	0.61	0.53
Pyroglutamic acid	ME761312	1.16	0.62	0.86	1.69	1.57	0.54	0.56
allantoin	ME761334	1.45	0.79	0.73	1.58	1.49	0.52	0.44
Indoleacrylic acid	ME761359	0.89	1.06	0.88	1.59	1.28	0.61	0.68
pyruvate	ME761298	0.59	0.45	1.32	1.21	1.84	0.73	0.87
Ascorbic acid	ME761349	0.58	0.35	0.93	1.80	2.40	0.44	0.50
Uric acid	ME761342	0.93	0.51	0.88	1.30	2.25	0.41	0.71
CDP_neg	ME761411	0.65	0.35	0.57	3.17	0.59	0.95	0.71
CDP-choline	ME761429	0.12	0.15	0.80	2.74	1.20	0.72	1.27
CDP-ethanolamine	ME761421	0.13	0.21	0.85	2.79	0.95	0.83	0.67
p-hydroxybenzoate	ME761321	0.67	0.62	1.75	2.13	0.46	0.50	0.86
UDP-D-glucose	ME761435	1.45	0.73	0.86	2.63	0.62	0.38	0.32
lipoate	ME761368	1.24	0.71	0.75	NA	0.32	0.79	2.14
Atrolactic acid	ME761338	0.62	0.24	0.70	0.50	0.14	1.66	2.06
n-acetylneuraminate	ME761459	0.87	0.95	0.88	0.30	0.25	1.69	2.07
n-acetylneuraminate(1)	ME761460	0.88	0.93	0.90	0.26	0.28	1.74	2.02
Sedoheptulose 1_7-bisphosphate	ME761403	0.09	0.07	1.44	1.30	0.23	1.63	1.07
homocysteic acid	ME761356	NA	0.03	0.67	0.25	NA	1.55	1.60
phenylpyruvate	ME761337	0.10	0.40	0.63	0.40	NA	1.52	1.55
2-oxo-4-methylthiobutanoate	ME761326	0.38	NA	0.81	0.72	0.38	1.41	1.30
acetyl-CoA_pos	ME761448	NA	NA	0.45	0.68	0.57	1.15	1.42
deoxyinosine	ME761377	NA	1.00	1.71	0.86	NA	0.57	NA
shikimate-3-phosphate	ME761378	0.73	0.77	1.27	1.09	NA	1.14	NA
N-acetyl-glucosamine-1-phosphate	ME761391	0.51	1.55	1.21	0.48	0.67	0.35	2.23
UDP-N-acetyl-glucosamine	ME761439	0.54	1.91	0.87	0.65	0.65	0.41	1.97
glucose-1-phosphate	ME761381	1.05	1.75	0.78	0.57	0.41	0.84	1.61
D-gluconate	ME761365	0.85	1.53	1.01	0.71	0.59	0.74	1.57
UDP-D-glucuronate	ME761436	1.02	1.42	0.89	0.82	0.44	0.86	1.54
Phenyllactic acid	ME761339	0.85	1.46	0.94	0.30	1.12	0.55	1.78
UTP_neg	ME761428	0.49	1.38	1.08	0.50	1.14	1.01	1.40
glyceraldehyde	ME761465	0.30	0.83	1.97	0.73	0.79	0.34	2.35
2-ketohaxanoic acid	ME761314	0.93	0.45	0.95	0.98	0.96	0.81	1.89
glycerate	ME761301	0.69	0.65	1.22	0.83	0.55	1.22	1.85
glyoxylate	ME761296	0.70	1.01	1.23	0.99	0.89	0.42	1.65
Geranyl-PP	ME761394	0.57	0.42	1.45	1.23	0.92	0.61	1.27
S-ribosyl-L-homocysteine_neg	ME761386	0.80	0.48	1.64	1.00	0.77	0.65	1.65
citrate-isocitrate	ME761361	2.08	1.39	1.03	0.74	0.81	0.46	0.43
glyceraldehyde(1)	ME761466	2.11	0.96	0.88	1.09	0.89	0.52	0.55
lactate	ME761299	2.11	0.94	0.90	1.08	0.89	0.52	0.56
pantothenate	ME761371	2.00	1.85	0.87	1.33	0.46	0.23	0.26
aconitate	ME761347	1.73	1.52	0.85	1.31	0.48	0.69	0.42
glucose-6-phosphate	ME761382	2.01	1.65	0.86	1.30	0.32	0.54	0.32
NAD+_neg	ME761441	2.31	1.73	0.88	0.61	0.13	0.85	0.49
NADH_neg	ME761442	2.00	1.45	0.90	0.95	0.25	0.74	0.71
trehalose-6-Phosphate	ME761414	2.22	1.39	0.75	0.90	0.31	0.87	0.33
3-methylphenylacetic acid	ME761328	1.29	1.26	0.69	0.67	1.37	0.95	0.76
Guanidoacetic acid	ME761306	1.07	1.48	1.24	1.21	0.65	0.50	0.84
2-phosphoglycerate	ME761458	1.05	1.57	0.92	0.70	1.07	NA	0.71
shikimate	ME761346	1.41	1.88	1.00	0.86	0.82	0.34	0.46
prephenate	ME761372	0.71	0.97	1.64	0.89	0.82	1.71	0.78
GDP_neg	ME761420	0.93	0.29	0.64	1.09	1.09	1.81	0.93
Methylmalonic acid	ME761308	0.78	0.48	0.94	0.93	0.81	1.92	1.14
succinate	ME761307	0.66	0.62	0.87	0.90	0.82	1.97	1.15
2-Hydroxy-2-methylbutanedioic acid	ME761327	1.03	0.86	0.82	0.60	0.94	1.62	1.13
orotidine-5-phosphate	ME761402	0.87	0.90	1.25	0.50	1.26	1.46	1.00
dGTP	ME761433	0.76	1.11	0.64	1.14	0.36	2.12	0.82
tartrate(1)	ME761462	0.90	0.57	1.34	0.80	0.31	2.51	0.72
dGDP_neg	ME761418	1.13	1.22	0.68	1.25	0.80	0.53	1.43
dTMP_neg	ME761396	1.31	0.95	0.67	1.31	1.13	0.48	0.97
ribose-phosphate	ME761374	1.64	1.20	0.85	1.15	0.41	0.92	0.83
deoxyribose-phosphate	ME761370	1.70	1.02	1.00	0.85	0.60	0.95	0.75
S-adenosyl-L-homocysteine_neg	ME761405	1.71	1.07	0.86	1.06	0.80	0.87	0.63
NADPH_neg	ME761446	1.63	0.87	0.76	1.20	0.51	0.99	1.03
Thiamine pyrophosphate	ME761415	1.70	0.71	0.73	1.35	0.70	0.94	0.87
2-hydroxygluterate	ME761457	1.42	1.04	0.89	1.28	0.46	1.17	0.74
glutathione disulfide_neg	ME761440	1.51	0.79	0.98	1.52	0.30	1.13	0.77
dTTP_neg	ME761426	1.16	0.84	0.93	1.92	0.40	0.89	0.36
D-glyceraldehdye-3-phosphate	ME761344	1.13	0.82	0.84	1.58	0.91	0.86	0.87
dihydroxy-acetone-phosphate	ME761343	1.14	0.77	0.85	1.56	0.90	0.88	0.90
myo-inositol	ME761354	1.42	0.83	0.81	1.75	1.06	0.55	0.58
adenosine 5-phosphosulfate	ME761416	1.45	0.84	0.84	1.72	0.78	0.74	0.63
IDP_neg	ME761419	1.28	0.94	0.92	1.79	0.62	0.72	0.73
2-deoxyglucose-6-phosphate	ME761456	1.11	1.23	0.94	1.45	0.78	0.61	0.63
Phenylpropiolic acid	ME761325	1.42	1.29	0.83	1.66	0.79	0.57	0.44
xanthosine	ME761389	1.65	0.93	0.86	1.36	1.05	0.61	0.55
Xanthurenic acid	ME761367	1.64	1.15	0.93	1.38	0.66	0.59	0.64
ADP_neg	ME761417	1.14	0.93	0.66	1.27	0.54	1.10	1.36
Carbamoyl phosphate	ME761323	1.18	1.01	0.91	1.08	0.22	1.35	1.24
octulose-monophosphate	ME761395	1.29	1.35	0.73	1.05	0.35	1.12	1.11
4-Pyridoxic acid	ME761357	1.10	0.94	0.89	1.02	0.74	1.57	0.74
NADP+_neg	ME761445	0.95	1.00	1.06	1.05	0.59	1.33	1.02
UDP_neg	ME761412	0.81	1.17	0.78	1.38	0.84	1.02	0.99
1_3-diphopshateglycerate	ME761384	0.78	1.03	1.24	1.05	1.01	0.87	1.02
3-dehydroshikimate	ME761463	0.87	1.08	1.08	0.98	1.03	0.91	1.04
cholesteryl sulfate	ME761423	1.11	0.87	1.02	0.84	0.90	1.22	1.04
cyclic-AMP	ME761397	1.22	1.03	0.92	0.90	0.85	1.03	1.04
GTP_neg	ME761434	1.05	1.07	0.49	1.73	0.30	1.59	0.77
fructose-1_6-bisphosphate	ME761398	0.43	0.58	1.11	1.67	0.43	1.38	1.39
fructose-6-phosphate	ME761383	0.78	0.63	0.95	1.55	0.42	1.55	1.12
D-sedoheptulose-1-7-phosphate	ME761390	1.03	0.75	0.84	1.54	0.52	1.27	1.05
hexose-phosphate	ME761380	0.96	0.78	0.88	1.50	0.37	1.37	1.15
CTP_neg	ME761427	0.68	0.81	0.95	1.66	0.75	1.28	0.69
sn-glycerol-3-phosphate	ME761345	0.78	0.83	0.84	1.94	0.40	1.28	0.93
anthranilate/p-aminobenzoate	ME761320	1.39	0.79	1.64	0.67	0.57	0.84	1.11
a-ketoglutarate	ME761324	1.12	0.67	0.87	1.07	0.37	1.90	1.00
malate	ME761318	1.62	0.80	0.87	0.70	0.21	1.83	0.97
ATP_neg	ME761432	1.19	1.08	1.00	0.74	0.19	1.68	0.83
2-keto-isovalerate	ME761305	1.35	0.89	0.98	0.70	0.39	1.66	1.02
Maleic acid	ME761304	1.26	0.87	0.86	0.77	0.51	1.68	1.05
glutathione_neg	ME761392	1.98	0.94	0.75	0.72	0.04	1.57	1.01
2-Isopropylmalic acid	ME761350	1.69	1.02	1.00	0.98	0.14	1.25	0.91
Kynurenic acid	ME761360	1.63	0.97	1.03	0.95	0.14	1.28	1.00
Aminoadipic acid	ME761335	1.87	1.33	1.10	0.36	0.22	1.00	1.11
taurine	ME761311	1.87	1.32	1.00	0.29	0.07	1.20	1.24
Indole-3-carboxylic acid	ME761336	1.54	1.52	0.96	0.43	0.27	1.14	1.14
acetylphosphate	ME761322	1.65	1.28	0.82	0.54	0.20	1.20	1.32
D-erythrose-4-phosphate	ME761366	1.37	1.26	0.95	0.68	0.10	1.27	1.37
2-dehydro-D-gluconate	ME761364	1.16	0.86	1.09	0.68	0.53	1.27	1.41
N-Acetyl-L-alanine	ME761315	1.29	1.11	0.90	0.45	0.26	1.19	1.80

Factors:

F1	Factor:noStressHeLa
F2	Factor:noStressKDOGA
F3	Factor:QC
F4	Factor:RecoveryHeLa
F5	Factor:RecoveryKDOGA
F6	Factor:StressHeLa
F7	Factor:StressKDOGA

Data matrix