Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002869)

HILIC NEGATIVE ION MODE (Analysis AN004703)

Metabolite	Structure	F1	F2	F3	F4
13C3-Lactate	ME746112	0.77	0.82	1.13	1.26
Dulcitol	ME746130	0.88	0.92	1.05	1.15
4-Methoxyphenylacetic acid	ME746107	1.58	1.52	0.68	0.35
3-Phosphoglyceric acid	ME746101	0.94	0.97	1.19	0.87
4-Hydroxybenzoic acid	ME746104	1.03	1.11	1.08	0.76
4-Methylvaleric acid/Hexanoic acid	ME746109	0.93	0.92	1.16	0.96
3-Phenyllactic acid	ME746100	0.61	1.52	1.14	0.65
9-Octadecynoic acid	ME746111	0.74	1.23	1.14	0.86
Adonitol	ME746116	0.70	1.16	1.37	0.72
4-Methyl-2-oxopentanoic acid/Ketoleucine/Ketoisoleucine	ME746108	0.88	1.16	1.24	0.68
alpha-KG	ME746118	1.42	1.48	0.59	0.59
4-Hydroxybenzaldehyde	ME746103	0.97	1.33	0.85	0.87
Azelaic acid	ME746119	0.86	1.46	1.10	0.56
Capric acid	ME746122	0.62	1.00	1.15	1.20
Citraconic acid	ME746124	0.88	1.17	1.21	0.70
D-(+)-Cellobiose	ME746126	2.15	0.96	0.42	0.57
DUMP	ME746131	1.10	1.61	0.64	0.29
Benzoic acid	ME746121	0.72	0.84	1.38	1.00
Caprylic acid	ME746123	0.80	0.92	1.21	1.03
4-Hydroxy-3-methylbenzoic acid	ME746102	4.00	0.06	0.07	0.03
6-Phosphogluconic acid	ME746110	0.82	1.21	0.95	NA
D-Galacturonic acid	ME746127	1.21	0.62	1.57	0.50
Citrate	ME746125	0.67	1.36	1.33	0.59
D-Mannitol	ME746128	1.73	1.11	0.73	0.47
belta-Hydroxyisovaleric acid	ME746120	1.10	0.90	1.28	0.67
4-Hydroxyphenylacetic acid/Mandelic acid	ME746105	3.44	0.35	0.24	0.09
Adipic acid	ME746115	0.85	1.28	0.87	1.02
alpha-Ketoisovaleric acid/Maleic acid	ME746117	1.01	0.93	1.30	0.70
2-Methylglutaric acid	ME746095	0.99	2.57	0.43	0.10
Aconitic acid	ME746114	0.92	0.88	1.04	1.15
D-Mannose 6-Phosphate (disodium salt hydrate)	ME746129	0.69	0.53	1.77	0.84
2-Furoic acid	ME746088	0.88	0.61	1.42	1.01
3-Methyl-2-oxovaleric acid	ME746098	0.84	1.05	1.21	0.87
Acetoacetate	ME746113	NA	0.52	1.27	0.97
3-Hexenedioic acid	ME746096	0.73	0.93	1.12	1.19
4-Hydroxyphenylpyruvic acid	ME746106	0.48	1.86	1.23	0.39
2-Ketobutyric acid	ME746093	0.55	0.71	1.07	1.66
3-hydroxybutyric acid	ME746097	1.22	1.30	0.83	0.68
2,3-Dihydroxybenzoic acid	ME746087	0.91	1.88	0.94	0.28
2HG	ME746089	1.51	1.26	0.71	0.58
2-Hydroxybenzoic acid	ME746090	1.06	1.35	0.99	0.60
2-Methylbutyric acid/Valeric acid	ME746094	0.92	1.11	1.18	0.75
3-Methyladipic acid	ME746099	1.46	1.97	0.54	0.11
2-hydroxybutyric acid/Malonic acid	ME746091	1.50	0.76	0.92	0.84
2-Hydroxyphenylacetic acid/3-Hydroxyphenylacetic acid	ME746092	2.80	0.68	0.39	0.23

Factors:

F1	Treatment:A
F2	Treatment:B
F3	Treatment:C
F4	Treatment:D

Data matrix