Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003546)

HILIC NEGATIVE ION MODE (Analysis AN005828)

Metabolite	Structure	F1	F2	F3	F4
1-kestose	ME924149	5.32	0.88	0.02	0.02
isocitric lactone	ME924190	3.98	1.31	0.00	0.00
mannonate*	ME924196	0.20	0.40	0.41	2.96
3-dehydroshikimate	ME924259	2.13	0.65	NA	NA
2-ketogluconate	ME924257	1.91	0.72	NA	NA
galactarate (mucic acid)	ME924276	1.85	0.74	NA	NA
phosphoethanolamine	ME924301	1.83	0.74	NA	NA
isomaltose	ME924290	1.70	0.78	NA	NA
isocitrate	ME924289	1.61	0.81	NA	NA
glucarate (saccharate)	ME924282	1.59	0.82	NA	NA
UDP-N-acetylglucosamine/galactosamine	ME924318	1.58	0.82	NA	NA
pentose acid*	ME924205	1.92	1.92	0.03	0.03
quinate	ME924208	2.27	1.69	0.11	0.13
1-linolenoyl-GPA (18:3)*	ME924247	1.09	0.97	NA	NA
3-deoxyoctulosonate	ME924260	1.07	0.98	NA	NA
trehalose	ME924314	1.06	0.98	NA	NA
galactose 1-phosphate	ME924279	0.95	1.01	NA	NA
verbascose	ME924322	0.95	1.01	NA	NA
gentiobiose	ME924281	0.96	1.01	NA	NA
protocatechuic acid-3-glucoside	ME924303	0.96	1.01	NA	NA
melilotoside (1)	ME924292	0.97	1.01	NA	NA
2^-deoxyuridine	ME924251	0.98	1.00	NA	NA
2-keto-3-deoxy-gluconate	ME924256	0.98	1.01	NA	NA
N-carbamoylaspartate	ME924298	1.02	0.99	NA	NA
homoarginine	ME924285	1.00	1.00	NA	NA
2-hydroxyhippurate (salicylurate)	ME924252	1.00	1.00	NA	NA
galactitol (dulcitol)	ME924278	1.00	1.00	NA	NA
pimelate (C7-DC)	ME924302	0.79	1.06	NA	NA
3-hydroxyadipate	ME924261	0.77	1.07	NA	NA
dimethylmalonic acid	ME924273	0.75	1.08	NA	NA
tartronate (hydroxymalonate)	ME924313	0.93	1.02	NA	NA
5-hydroxypicolinic acid	ME924264	0.90	1.03	NA	NA
1-stearoyl-2-linoleoyl-GPI (18:0/18:2)	ME924250	0.91	1.03	NA	NA
erythrulose	ME924275	0.91	1.03	NA	NA
orotidine	ME924300	0.83	1.05	NA	NA
quinolinate	ME924304	0.82	1.06	NA	NA
chiro-inositol	ME924270	0.88	1.04	NA	NA
dehydroascorbate	ME924271	0.87	1.04	NA	NA
galactinol	ME924277	0.85	1.05	NA	NA
indole-3-carboxylate	ME924288	0.86	1.04	NA	NA
SQDG (18:3/18:3)*	ME924310	1.24	0.93	NA	NA
1-palmitoyl-2-linoleoyl-GPI (16:0/18:2)	ME924249	1.16	0.95	NA	NA
SQDG (18:3/16:0)	ME924309	1.18	0.94	NA	NA
2-hydroxylignocerate*	ME924253	1.21	0.94	NA	NA
1-linoleoyl-GPA (18:2)*	ME924248	1.19	0.94	NA	NA
N-acetyl-beta-alanine	ME924296	1.20	0.94	NA	NA
shikimate	ME924308	1.34	0.90	NA	NA
UDP-galactose	ME924316	1.33	0.90	NA	NA
sucrose	ME924311	1.42	0.87	NA	NA
UDP-glucose	ME924317	1.43	0.87	NA	NA
salicylate	ME924306	0.46	1.17	NA	NA
saccharopine	ME924305	0.38	1.19	NA	NA
2-isopropylmalate	ME924255	0.41	1.18	NA	NA
homo-cis-aconitate	ME924286	0.41	1.18	NA	NA
homoserine	ME924287	0.63	1.11	NA	NA
urate	ME924320	0.56	1.14	NA	NA
calycosin	ME924269	0.55	1.14	NA	NA
xylose	ME924323	0.55	1.14	NA	NA
glucoheptose	ME924283	0.59	1.13	NA	NA
dihydroorotate	ME924272	0.57	1.13	NA	NA
glycolate (hydroxyacetate)	ME924284	0.58	1.13	NA	NA
tricarballylate	ME924315	0.01	1.30	NA	NA
lactate	ME924291	0.03	1.30	NA	NA
O-acetylhomoserine	ME924299	0.04	1.30	NA	NA
uracil	ME924319	0.04	1.29	NA	NA
valylglycine	ME924321	0.05	1.29	NA	NA
N-acetylalanine	ME924294	0.08	1.28	NA	NA
methionine	ME924293	0.13	1.27	NA	NA
N-acetylaspartate (NAA)	ME924295	0.12	1.27	NA	NA
N-acetylglycine	ME924297	0.12	1.27	NA	NA
2-ketogulonate	ME924258	0.31	1.21	NA	NA
3-methylglutarate/2-methylglutarate	ME924262	0.30	1.22	NA	NA
allo-threonine	ME924266	0.18	1.25	NA	NA
4-hydroxybenzoate	ME924263	0.18	1.25	NA	NA
6-oxopiperidine-2-carboxylate	ME924265	0.18	1.25	NA	NA
galacturonate	ME924280	0.20	1.25	NA	NA
sebacate (C10-DC)	ME924307	0.20	1.24	NA	NA
2-hydroxysebacate	ME924254	0.23	1.24	NA	NA
arabinose	ME924267	0.22	1.24	NA	NA
tartarate	ME924312	0.27	1.23	NA	NA
azelate (C9-DC)	ME924268	0.26	1.23	NA	NA
erythritol	ME924274	0.25	1.23	NA	NA
beta-hydroxyisovalerate	ME924173	1.40	1.10	0.79	0.85
gluconate	ME924179	1.55	1.20	0.56	0.83
uridine 5^-monophosphate (UMP)	ME924217	1.67	1.24	0.40	0.87
glycerophosphoglycerol	ME924186	1.78	1.55	0.44	0.27
2,3-dihydroxy-2-methylbutyrate	ME924150	1.69	1.71	0.37	0.13
ribitol	ME924209	1.78	1.75	0.19	0.19
threonate	ME924216	1.68	1.73	0.23	0.24
erythronate*	ME924174	1.46	1.84	0.21	0.19
glycerate	ME924185	1.34	1.96	0.11	0.17
lyxonate	ME924191	1.51	1.55	0.38	0.47
galactonate	ME924178	1.29	1.77	0.30	0.29
2R,3R-dihydroxybutyrate	ME924158	1.50	1.67	0.35	0.32
malonate	ME924193	1.36	1.66	0.42	0.33
ribonate	ME924210	1.25	1.49	0.42	0.66
2-hydroxyadipate	ME924154	0.85	1.63	0.42	0.63
allantoic acid	ME924168	0.93	1.62	0.42	0.61
succinate	ME924215	1.05	1.76	0.39	0.34
2,4-dihydroxybutyrate	ME924152	1.09	1.67	0.41	0.46
gulonate*	ME924188	1.08	1.67	0.44	0.44
fructose	ME924176	1.50	1.40	0.68	0.43
glycerophosphoinositol*	ME924187	1.56	1.45	0.56	0.43
sedoheptulose	ME924213	1.42	1.50	0.65	0.32
3,4-dihydroxybutyrate	ME924160	1.31	1.46	0.72	0.39
glucose	ME924181	1.35	1.43	0.66	0.48
arabonate/xylonate	ME924172	1.05	1.34	0.73	0.70
2S,3R-dihydroxybutyrate	ME924159	1.21	1.37	0.80	0.49
ribulose/xylulose	ME924212	1.05	1.52	0.65	0.48
phenylpyruvate	ME924206	0.28	2.17	0.30	0.16
2,3-dihydroxyisovalerate	ME924151	0.24	2.35	0.08	0.12
alpha-hydroxyisovalerate	ME924170	0.13	2.33	0.15	0.13
2,6-dihydroxybenzoic acid	ME924153	0.94	2.08	0.05	0.22
glucuronate	ME924183	1.09	2.10	0.05	0.11
inositol 1-phosphate (I1P)	ME924189	0.63	1.52	0.95	0.40
3-hydroxy-3-methylglutarate	ME924161	0.66	1.50	0.72	0.64
4-hydroxybutyrate (GHB)	ME924167	0.64	1.36	0.86	0.75
maleate	ME924192	0.47	1.68	0.70	0.46
glucose 6-phosphate	ME924182	0.61	1.67	0.56	0.55
myo-inositol	ME924200	0.64	1.63	0.48	0.67
glutarate (C5-DC)	ME924184	0.39	1.87	0.54	0.36
fumarate	ME924177	0.50	1.90	0.43	0.37
arabitol/xylitol	ME924171	0.62	1.84	0.46	0.36
methylsuccinate	ME924199	0.63	1.84	0.47	0.34
mannitol/sorbitol	ME924195	0.83	1.92	0.31	0.28
ribose	ME924211	0.83	1.76	0.52	0.33
2-hydroxybutyrate/2-hydroxyisobutyrate	ME924155	0.17	1.89	0.49	0.48
orotate	ME924204	0.47	1.96	0.17	0.53
pyruvate	ME924207	0.45	1.90	0.19	0.62
maltotetraose	ME924237	NA	NA	0.46	1.54
maltotriose	ME924238	NA	NA	0.30	1.70
glycerol 2-phosphate	ME924232	NA	NA	0.89	1.11
sphingomyelin (d18:2/16:0, d18:1/16:1)*	ME924246	NA	NA	0.92	1.08
cytidine-5^-diphosphoethanolamine	ME924230	NA	NA	0.85	1.15
2-hydroxyglutarate	ME924224	NA	NA	0.81	1.19
citraconate/glutaconate	ME924229	NA	NA	0.81	1.19
1-stearoyl-2-oleoyl-GPG (18:0/18:1)	ME924223	NA	NA	0.79	1.21
ribose 1-phosphate	ME924243	NA	NA	0.80	1.20
alpha-ketoglutarate	ME924227	NA	NA	0.71	1.29
1-(1-enyl-palmitoyl)-2-docosahexaenoyl-GPE (P-16:0/22:6)*	ME924218	NA	NA	0.55	1.45
glycerol 3-phosphate	ME924233	NA	NA	0.62	1.38
1-arachidonoyl-GPC (20:4n6)*	ME924219	NA	NA	1.12	0.88
hypotaurine	ME924236	NA	NA	1.13	0.87
N6-acetyllysine	ME924239	NA	NA	1.13	0.87
1-oleoyl-GPG (18:1)*	ME924222	NA	NA	1.16	0.84
1-arachidonoyl-GPE (20:4n6)*	ME924220	NA	NA	1.15	0.85
glycerophosphoethanolamine	ME924234	NA	NA	1.15	0.85
1-linoleoyl-GPG (18:2)*	ME924221	NA	NA	1.00	1.00
homocarnosine	ME924235	NA	NA	1.06	0.94
3-hydroxy-2-ethylpropionate	ME924225	NA	NA	1.07	0.93
cholesterol sulfate	ME924228	NA	NA	1.07	0.93
acetylphosphate	ME924226	NA	NA	1.02	0.98
sphingomyelin (d18:1/24:1, d18:2/24:0)*	ME924245	NA	NA	1.03	0.97
fructose-6-phosphate	ME924231	NA	NA	1.04	0.96
ribose 5-phosphate	ME924244	NA	NA	1.05	0.95
phenyllactate (PLA)	ME924242	NA	NA	1.50	0.50
N-acetylglutamate	ME924240	NA	NA	1.33	0.67
N-acetylneuraminate	ME924241	NA	NA	1.30	0.70
3-methyl-2-oxobutyrate	ME924165	0.59	0.47	2.35	0.72
glucosamine-6-phosphate	ME924180	0.93	0.77	1.19	1.22
N-acetylglucosamine 6-phosphate	ME924202	1.02	0.69	1.26	1.24
3-methylglutaconate	ME924166	0.64	1.13	1.07	0.90
maltose	ME924194	0.68	1.13	0.77	1.18
ethylmalonate	ME924175	0.96	1.18	1.15	0.58
mannose	ME924197	1.03	1.04	1.27	0.65
2-O-methylascorbic acid	ME924157	1.05	1.13	0.89	0.88
methylmalonate (MMA)	ME924198	1.10	0.88	1.14	1.01
N-acetyltaurine	ME924203	0.96	0.99	1.11	0.93
2-hydroxyheptanoate*	ME924156	0.34	0.96	1.61	0.78
suberate (C8-DC)	ME924214	0.52	1.05	1.38	0.78
3-hydroxybutyrate (BHBA)	ME924162	0.21	0.64	1.55	1.43
allantoin	ME924169	0.11	0.59	1.57	1.53
3-hydroxyhexanoate	ME924163	0.23	0.78	1.70	1.04
3-hydroxyisobutyrate	ME924164	0.42	0.74	1.53	1.18
N-acetyl-glucosamine 1-phosphate	ME924201	0.57	0.76	1.37	1.22

Factors:

F1	Sample source:Beef Feed \| Feed:Grain
F2	Sample source:Beef Feed \| Feed:Grass
F3	Sample source:Bovine Meat \| Feed:Grain
F4	Sample source:Bovine Meat \| Feed:Grass

Data matrix