Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003254)

HILIC NEGATIVE ION MODE (Analysis AN005336)

Metabolite	Structure	F1	F2
2-ketogluconate	ME856361	0.15	1.81
4-imidazoleacetate	ME856336	0.31	1.65
phenylpyruvate	ME856285	1.52	0.51
adenosine 5^-monophosphate (AMP)	ME856282	1.42	0.60
maleate	ME856327	1.40	0.62
ribose	ME856309	1.30	0.72
sucrose	ME856310	1.30	0.71
fumarate	ME856291	1.35	0.67
2,3-dihydroxy-2-methylbutyrate	ME856368	1.34	0.68
3-hydroxy-2-ethylpropionate	ME856335	1.33	0.68
UDP-N-acetylglucosamine/galactosamine	ME856356	1.33	0.69
2-methylcitrate	ME856278	1.20	0.81
cytidine-5^-diphosphoethanolamine	ME856340	1.21	0.80
3-hydroxyhexanoate	ME856364	1.22	0.79
uridine 5^-monophosphate (UMP)	ME856306	1.23	0.78
homocarnosine	ME856277	1.16	0.85
quinate	ME856326	1.16	0.85
sedoheptulose-7-phosphate	ME856344	1.14	0.87
2-hydroxyadipate	ME856334	1.14	0.87
ribose 1-phosphate	ME856284	1.14	0.87
2S,3R-dihydroxybutyrate	ME856350	1.13	0.88
N-acetyl-glucosamine 1-phosphate	ME856315	1.12	0.89
pyruvate	ME856304	1.12	0.89
glutarate (C5-DC)	ME856293	1.03	0.97
cholesterol sulfate	ME856343	1.02	0.98
alpha-hydroxyisovalerate	ME856338	1.02	0.98
alpha-ketoglutarate	ME856279	1.02	0.98
glucose 6-phosphate	ME856290	0.99	1.01
mannose	ME856302	0.99	1.01
3-hydroxy-3-methylglutarate	ME856281	1.01	0.99
methylmalonate (MMA)	ME856297	1.00	1.00
malonate	ME856303	1.00	1.00
2-hydroxysebacate	ME856371	1.00	1.00
arabonate/xylonate	ME856362	1.00	1.00
ribose 5-phosphate	ME856276	1.08	0.92
suberate (C8-DC)	ME856320	1.06	0.95
arabitol/xylitol	ME856365	1.06	0.94
ethylmalonate	ME856319	1.06	0.94
N-acetylglucosamine 6-phosphate	ME856316	1.05	0.95
2-hydroxyheptanoate*	ME856369	1.04	0.96
3-hydroxybutyrate (BHBA)	ME856287	1.05	0.96
lyxonate	ME856370	1.05	0.96
glucosamine-6-phosphate	ME856289	0.97	1.03
beta-hydroxyisovalerate	ME856317	0.98	1.02
lactate	ME856299	0.97	1.02
N-acetylserine	ME856348	0.95	1.04
threonate	ME856331	0.96	1.04
2R,3R-dihydroxybutyrate	ME856352	0.96	1.04
3-hydroxyglutarate	ME856333	0.96	1.04
sebacate (C10-DC)	ME856337	0.94	1.06
acetylphosphate	ME856314	0.94	1.05
glucose	ME856301	0.94	1.05
citraconate/glutaconate	ME856366	0.92	1.08
allantoin	ME856311	0.93	1.07
N-acetylalanine	ME856313	0.92	1.07
3-hydroxyisobutyrate	ME856280	0.89	1.11
ribulose/xylulose	ME856363	0.89	1.11
3-methylglutaconate	ME856354	0.90	1.10
allantoic acid	ME856283	0.90	1.10
2-ketogulonate	ME856321	0.52	1.45
glycerol 2-phosphate	ME856332	0.54	1.43
orotate	ME856298	0.55	1.42
succinate	ME856286	0.84	1.15
inositol 1-phosphate (I1P)	ME856295	0.84	1.15
gulonate*	ME856342	0.84	1.15
2-hydroxybutyrate/2-hydroxyisobutyrate	ME856367	0.84	1.15
adenosine 3^-monophosphate (3^-AMP)	ME856341	0.84	1.15
fructose	ME856307	0.83	1.16
cytidine 5^-monophosphate (5^-CMP)	ME856288	0.83	1.16
erythronate*	ME856339	0.83	1.16
2-O-methylascorbic acid	ME856357	0.87	1.12
N6-acetyllysine	ME856346	0.86	1.13
glucuronate	ME856322	0.85	1.14
2,4-dihydroxybutyrate	ME856351	0.86	1.14
salicylate	ME856300	0.86	1.14
2-aminoadipate	ME856296	0.76	1.22
ribonate	ME856330	0.78	1.21
glycerate	ME856312	0.78	1.21
maltotriose	ME856324	0.78	1.21
sedoheptulose	ME856355	0.80	1.19
methylsuccinate	ME856318	0.80	1.19
N-acetyltaurine	ME856360	0.80	1.19
maltose	ME856308	0.81	1.18
mannonate*	ME856358	0.82	1.17
adenosine 2^-monophosphate (2^-AMP)	ME856345	0.82	1.17
mannitol/sorbitol	ME856347	0.82	1.17
2-hydroxyglutarate	ME856349	0.71	1.28
myo-inositol	ME856294	0.70	1.28
2,6-dihydroxybenzoic acid	ME856372	0.75	1.24
N-acetylaspartate (NAA)	ME856328	0.74	1.24
3-hydroxyadipate	ME856359	0.73	1.26
glycerol 3-phosphate	ME856323	0.72	1.26
erythritol	ME856329	0.67	1.31
ribitol	ME856325	0.66	1.33
2,3-dihydroxyisovalerate	ME856353	0.63	1.35
arabinose	ME856305	0.61	1.37
gluconate	ME856292	0.61	1.37

Factors:

F1	Factor:Grain
F2	Factor:Grass

Data matrix