Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003254)

Reversed phase NEGATIVE ION MODE (Analysis AN005335)

Metabolite	Structure	F1	F2
4-methylcatechol sulfate	ME856238	1.67	0.33
2,8-quinolinediol sulfate	ME856240	1.54	0.46
X-12015	ME856264	1.60	0.40
phenyllactate (PLA)	ME856184	1.35	0.65
4-hydroxyphenylpyruvate	ME856157	1.32	0.68
X-26127	ME856275	1.31	0.69
isoleucylglycine	ME856232	1.29	0.71
guanosine 5^-monophosphate (5^-GMP)	ME856123	1.30	0.70
pyrraline	ME856218	1.30	0.70
linoleoyl ethanolamide	ME856250	1.42	0.58
4-hydroxy-nonenal-glutathione	ME856248	1.44	0.56
S-(1,2-dicarboxyethyl)glutathione	ME856260	1.43	0.57
inosine 5^-monophosphate (IMP)	ME856126	1.49	0.51
sulfate*	ME856228	1.47	0.53
cholate	ME856110	1.08	0.92
N-palmitoyltaurine	ME856233	1.09	0.91
X-25004	ME856270	1.11	0.89
X-25921	ME856272	1.10	0.90
guanosine	ME856153	1.10	0.90
X-25102	ME856271	1.10	0.90
2-hydroxyoctanoate	ME856182	1.07	0.93
phenylacetylglutamine	ME856203	1.06	0.94
2-hydroxydecanoate	ME856237	1.05	0.95
3-methyl-2-oxovalerate	ME856167	1.04	0.96
taurodeoxycholate	ME856162	1.04	0.96
butyrylglycine	ME856189	1.25	0.75
3-hydroxyoctanoate	ME856183	1.20	0.80
adrenate (22:4n6)	ME856192	1.21	0.79
1,5-anhydroglucitol (1,5-AG)	ME856178	1.21	0.79
3-(4-hydroxyphenyl)lactate	ME856118	1.21	0.79
2-hydroxy-3-methylvalerate	ME856210	1.23	0.77
S-adenosylhomocysteine (SAH)	ME856116	1.22	0.78
indolelactate	ME856174	1.18	0.82
pyridoxate	ME856187	1.17	0.83
4-methyl-2-oxopentanoate	ME856176	1.17	0.83
phenylalanylalanine	ME856235	1.17	0.83
2-oleoyl-GPG (18:1)*	ME856245	1.12	0.88
X-17010	ME856265	1.13	0.87
pantothenate	ME856147	1.13	0.87
taurocholate	ME856161	1.13	0.87
2,4-di-tert-butylphenol	ME856262	1.14	0.86
N-acetylvaline	ME856151	1.15	0.85
X-25940	ME856273	1.15	0.85
6-phosphogluconate	ME856172	1.02	0.98
flavin adenine dinucleotide (FAD)	ME856121	1.02	0.98
inosine	ME856125	1.01	0.99
phosphoethanolamine	ME856148	1.01	0.99
caprylate (8:0)	ME856143	0.97	1.03
2-oleoyl-GPS (18:1)*	ME856225	0.98	1.02
2,3-dihydroxy-5-methylthio-4-pentenoate (DMTPA)*	ME856259	0.98	1.02
2-methylbutyrylglycine	ME856190	0.98	1.02
histidine	ME856124	1.00	1.00
isobutyrylglycine	ME856212	1.00	1.00
phosphate	ME856132	0.99	1.01
uridine	ME856134	0.99	1.01
X-11979	ME856263	0.87	1.13
X-22776	ME856268	0.88	1.12
glycodeoxycholate	ME856173	0.88	1.12
undecanedioate (C11-DC)	ME856214	0.88	1.12
(3^-5^)-adenylylcytidine	ME856252	0.90	1.10
glycerol	ME856159	0.90	1.10
N-acetylleucine	ME856149	0.89	1.11
fructose 1,6-diphosphate/glucose 1,6-diphosphate/myo-inositol diphosphates	ME856222	0.89	1.11
5,6-dihydrouridine	ME856204	0.89	1.11
flavin mononucleotide (FMN)	ME856170	0.89	1.11
xanthine	ME856145	0.96	1.04
alpha-hydroxyisocaproate	ME856181	0.96	1.04
N-acetylmethionine	ME856150	0.96	1.04
N-acetylthreonine	ME856195	0.95	1.05
caproate (6:0)	ME856142	0.95	1.05
hypoxanthine	ME856112	0.95	1.05
oxalate (ethanedioate)	ME856185	0.93	1.07
dihomo-linolenate (20:3n3 or n6)	ME856216	0.93	1.07
C-glycosyltryptophan	ME856249	0.93	1.07
3-methylhistidine	ME856168	0.93	1.07
4-hydroxyphenylacetate	ME856111	0.93	1.07
N-formylmethionine	ME856115	0.94	1.06
azelate (C9-DC)	ME856163	0.94	1.06
benzoate	ME856165	0.94	1.06
nicotinamide adenine dinucleotide reduced (NADH)	ME856129	0.91	1.09
xanthosine	ME856171	0.92	1.08
X-21796	ME856267	0.92	1.08
uric acid ribonucleoside*	ME856229	0.92	1.08
tyrosylglycine	ME856236	0.92	1.08
2-hydroxypalmitate	ME856211	0.92	1.08
N-formylphenylalanine	ME856246	0.92	1.08
octadecenedioate (C18:1-DC)	ME856255	0.70	1.30
eicosenoate (20:1)	ME856200	0.69	1.31
hippurate	ME856166	0.69	1.31
laurate (12:0)	ME856114	0.73	1.27
phenylacetylglycine	ME856196	0.71	1.29
12-HETE	ME856221	0.71	1.29
N-delta-acetylornithine	ME856242	0.71	1.29
isovalerylglycine	ME856206	0.72	1.28
oleate/vaccenate (18:1)	ME856251	0.72	1.28
stearate (18:0)	ME856130	0.78	1.22
docosadienoate (22:2n6)	ME856191	0.78	1.22
15-HETE	ME856177	0.78	1.22
beta-citrylglutamate	ME856234	0.78	1.22
N-oleoyltaurine	ME856231	0.77	1.23
NADHX*	ME856261	0.77	1.23
guaiacol sulfate	ME856239	0.77	1.23
glycocholate	ME856122	0.77	1.23
5-HETE	ME856220	0.77	1.23
gamma-glutamylisoleucine*	ME856208	0.77	1.23
1-oleoyl-GPG (18:1)*	ME856243	0.75	1.25
6-oxopiperidine-2-carboxylate	ME856241	0.75	1.25
dehydroascorbate	ME856119	0.76	1.24
8-hydroxyoctanoate	ME856186	0.76	1.24
citrate	ME856154	0.76	1.24
N-acetylphenylalanine	ME856194	0.85	1.15
linoleate (18:2n6)	ME856113	0.85	1.15
1-palmitoyl-GPG (16:0)*	ME856244	0.85	1.15
1-stearoyl-GPG (18:0)	ME856207	0.85	1.15
cinnamoylglycine	ME856224	0.84	1.16
malate	ME856127	0.84	1.16
heptanoate (7:0)	ME856141	0.81	1.19
3-hydroxyhippurate	ME856219	0.81	1.19
dihomo-linoleate (20:2n6)	ME856158	0.81	1.19
thymidine	ME856136	0.82	1.18
kynurenate	ME856108	0.82	1.18
arachidonate (20:4n6)	ME856117	0.82	1.18
caprate (10:0)	ME856137	0.82	1.18
palmitate (16:0)	ME856128	0.79	1.21
propionylglycine	ME856188	0.80	1.20
5-oxoproline	ME856146	0.80	1.20
glycochenodeoxycholate	ME856160	0.80	1.20
arachidate (20:0)	ME856140	0.66	1.34
N6-succinyladenosine	ME856215	0.66	1.34
tetradecadienoate (14:2)*	ME856256	0.64	1.36
2^-deoxyinosine	ME856169	0.64	1.36
2^-deoxyuridine	ME856135	0.64	1.36
p-cresol sulfate	ME856199	0.63	1.37
myristoleate (14:1n5)	ME856193	0.62	1.38
13-HODE + 9-HODE	ME856223	0.62	1.38
margarate (17:0)	ME856138	0.62	1.38
catechol sulfate	ME856213	0.55	1.45
urate	ME856156	0.56	1.44
3-indoxyl sulfate	ME856175	0.59	1.41
aconitate [cis or trans]	ME856202	0.58	1.42
(16 or 17)-methylstearate (a19:0 or i19:0)	ME856227	0.58	1.42
5-methyluridine (ribothymidine)	ME856205	0.58	1.42
5,6-dihydrouracil	ME856155	0.61	1.39
X-25984	ME856274	0.60	1.40
myristate (14:0)	ME856133	0.60	1.40
behenate (22:0)*	ME856120	0.60	1.40
erucate (22:1n9)	ME856152	0.60	1.40
1-linoleoyl-GPG (18:2)*	ME856253	0.51	1.49
3-phosphoglycerate	ME856109	0.51	1.49
docosahexaenoate (DHA; 22:6n3)	ME856180	0.48	1.52
palmitoleate (16:1n7)	ME856131	0.49	1.51
10-heptadecenoate (17:1n7)	ME856198	0.49	1.51
1-oleoyl-GPS (18:1)	ME856179	0.49	1.51
p-cresol glucuronide*	ME856247	0.45	1.55
hexadecadienoate (16:2n6)	ME856254	0.43	1.57
pentadecanoate (15:0)	ME856144	0.44	1.56
nonadecanoate (19:0)	ME856139	0.41	1.59
10-nonadecenoate (19:1n9)	ME856197	0.39	1.61
(14 or 15)-methylpalmitate (a17:0 or i17:0)	ME856230	0.39	1.61
X-23974	ME856269	0.08	1.92
(12 or 13)-methylmyristate (a15:0 or i15:0)	ME856226	0.19	1.81
eicosapentaenoate (EPA; 20:5n3)	ME856164	0.18	1.82
linolenate [alpha or gamma; (18:3n3 or 6)]	ME856201	0.17	1.83
phenol sulfate	ME856209	0.30	1.70
X-18059	ME856266	0.32	1.68
heptadecatrienoate (17:3)*	ME856258	0.27	1.73
1-linolenoyl-GPG (18:3)*	ME856257	0.23	1.77
4-ethylphenylsulfate	ME856217	0.25	1.75

Factors:

F1	Factor:Grain
F2	Factor:Grass

Data matrix