Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000956)

Reversed phase POSITIVE ION MODE (Analysis AN001568)

Metabolite	Structure	F1	F2	F3	F4
L-Cystine	ME236891	0.99	1.22	0.93	0.86
ETHANOLAMINE PHOSPHATE;2-AMINOETHYL DIHYDROGEN PHOSPHATE	ME236871	1.65	0.05	0.49	1.81
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE	ME236928	0.90	1.35	0.92	0.83
L-HISTIDINE	ME236895	0.87	1.10	0.99	1.05
DL-5-HYDROXYLYSINE	ME236868	1.12	0.57	1.11	1.16
HYPOTAURINE	ME236882	0.76	1.30	0.95	0.99
RIBOFLAVIN_R2	ME236946	1.08	0.60	0.97	1.51
L-CYSTATHIONINE	ME236889	0.68	1.97	0.64	0.71
L-Leucine-D10	ME236900	0.99	1.01	1.00	1.00
L-GLUTAMINE	ME236894	0.74	1.21	1.00	1.05
N-BOC-L-Aspartic Acid_R1	ME236922	1.01	0.97	1.02	1.00
L-CYSTEINE	ME236890	0.84	1.35	0.93	0.88
QUINATE	ME236944	0.80	1.28	1.01	0.90
ALANINE/SARCOSINE	ME236837	0.75	1.40	0.98	0.88
PEG n5	ME236935	1.22	0.59	1.12	1.06
Allopurinol	ME236839	0.64	1.98	0.97	0.42
L-Leucine 13C6	ME236899	1.01	0.98	1.01	0.99
NICOTINAMIDE MONONUCLEOTIDE	ME236929	1.19	0.53	1.30	0.98
CYTIDINE 5^-DIPHOSPHOCHOLINE	ME236862	0.92	1.01	0.95	1.12
SPERMINE	ME236952	0.96	1.05	1.00	0.98
N-Acetyl-Arginine	ME236913	0.87	1.01	1.05	1.07
N-ACETYL-L-ASPARTIC ACID_R1	ME236917	0.75	1.37	0.96	0.93
N-BOC-L-Aspartic Acid_R2	ME236923	1.03	0.97	1.00	1.01
L-ARGININE	ME236887	0.88	1.28	0.94	0.90
N-BOC-L-Tryptophan_R2	ME236926	0.97	1.02	1.02	0.99
L-Phenylalanine 13C6	ME236904	0.99	1.00	1.00	1.01
PYRIDOXINE	ME236943	0.87	0.91	1.04	1.18
NICOTINAMIDE;NIACINAMIDE	ME236930	0.94	1.04	1.12	0.90
N-BOC-L-tert-Leucine	ME236924	1.00	1.03	0.98	1.00
Glycyl-L-leucine_R1	ME236878	0.73	1.75	0.76	0.76
5-HYDROXYINDOLEACETATE	ME236830	0.70	1.73	0.88	0.69
(R)-MALATE	ME236821	0.55	1.77	0.86	0.82
D-Ribose;ALDOPENTOSE	ME236869	0.89	1.20	1.22	0.68
N-ACETYLPUTRESCINE	ME236920	0.79	1.51	0.91	0.79
BOC-D-Phenylalanine	ME236843	1.00	0.99	1.00	1.01
L-Isoleucine	ME236896	0.86	1.10	1.02	1.02
SEROTONIN-NH3	ME236949	0.67	1.94	0.66	0.73
L-ASPARAGINE	ME236888	0.81	1.36	0.98	0.85
Proprionylcarnitine	ME236939	0.73	1.47	0.83	0.96
3^-CMP	ME236824	0.76	1.71	0.94	0.59
SPERMIDINE	ME236951	1.02	0.92	1.02	1.03
4-GUANIDINOBUTANOATE	ME236827	0.87	1.00	1.06	1.07
CMP	ME236856	0.99	0.70	1.07	1.24
Citrate+NH3	ME236854	0.75	1.19	0.90	1.16
HEXOSE-DISACCHARIDE;Lactose+Na	ME236880	1.72	1.58	0.37	0.34
ORNITHINE	ME236932	1.01	0.86	0.97	1.16
Choline	ME236849	1.13	0.37	1.19	1.31
TAURINE	ME236953	0.74	1.46	0.85	0.95
L-Tyrosine 13C6	ME236907	1.00	1.01	0.99	1.00
2-Hydroxyphenylalanine;L-TYROSINE	ME236823	0.84	1.24	0.96	0.96
5-HYDROXY-L-TRYPTOPHAN	ME236831	0.99	1.15	1.02	0.84
ISOCITRIC ACID_R2	ME236884	0.47	2.24	0.79	0.49
CYTIDINE	ME236861	0.19	3.38	0.17	0.27
L-KYNURENINE	ME236897	1.09	0.66	1.11	1.15
5-OXO-L-PROLINE;Pyroglutamic Acid	ME236834	0.86	1.14	0.94	1.05
Tryptophan	ME236956	0.92	1.02	1.09	0.97
ALDO/KETO-HEXOSE	ME236838	0.83	1.18	0.98	1.01
Methionine Sulfoxide	ME236910	1.01	0.78	1.13	1.08
Formylkynurenine	ME236873	1.09	0.97	0.95	0.99
Isocytosine	ME236885	0.21	3.32	0.19	0.29
Hippuric Acid	ME236881	1.05	0.95	0.98	1.02
L-PROLINE	ME236905	0.66	1.61	0.91	0.83
URACIL;Uracil	ME236958	1.16	0.33	1.51	1.00
L-VALINE/5-AMINOPENTANOATE/L-NORVALINE;BETAINE	ME236908	1.12	0.21	1.34	1.32
L-SERINE	ME236906	0.86	1.20	0.99	0.95
LysoPC (16:1)	ME236909	0.63	1.82	0.59	0.97
DIETHANOLAMINE	ME236866	1.13	0.79	0.55	1.52
Glycerophosphocholine	ME236876	0.87	0.99	1.07	1.07
5-Hydroxymethyl-2-furaldehyde	ME236832	0.90	1.18	1.04	0.87
N-ACETYL-L-ALANINE;3-AMINO-5-HYDROXYBENZOIC ACID	ME236916	0.71	1.71	0.86	0.72
Isovalerylcarnitine;Valerylcarnitine	ME236886	0.59	1.82	0.88	0.71
5^-DEOXYADENOSINE	ME236829	0.64	2.24	0.59	0.54
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE;L-2-Aminoadipic Acid	ME236840	0.60	2.51	0.41	0.49
RIBOFLAVIN_R1	ME236945	1.10	0.43	1.34	1.13
2-hydroxyglutarate+Na	ME236822	0.82	1.47	0.95	0.75
Caffeine-D3	ME236848	1.03	0.96	0.98	1.03
URIDINE	ME236959	0.74	1.71	0.87	0.68
Citrate source fragment (+H and + NH3)	ME236850	0.74	1.19	0.91	1.15
Citrate+Na;CITRATE	ME236853	0.74	1.19	0.90	1.16
5-AMINOLEVULINIC ACID;4-HYDROXYPROLINE;trans-4-Hydroxy-L_Proline	ME236828	0.75	1.77	1.01	0.47
D-SACCHARIC ACID	ME236870	0.83	1.24	0.99	0.95
Creatine-D3	ME236858	0.92	0.87	1.17	1.04
6C-SUGAR ALCOHOL_R1	ME236835	0.66	1.83	0.68	0.83
N-ALPHA-ACETYL-L-LYSINE	ME236921	0.76	1.59	0.94	0.71
BOC-L-Tyrosine_R1	ME236844	1.02	0.98	1.01	0.98
6C-SUGAR ALCOHOL_R2	ME236836	1.09	0.77	0.98	1.13
4-AMINOBUTANOATE (GABA);2-AMINO-2-METHYLPROPANOATE;3-AMINOISOBUTANOATE	ME236826	0.62	1.82	0.77	0.79
Leu Pro_R2	ME236893	0.84	1.12	1.07	0.97
L-LYSINE_R2	ME236902	0.85	0.97	0.92	1.25
Anthranilate	ME236841	0.98	0.93	0.95	1.13
Formyl-5-hydroxykynurenamine	ME236872	1.11	0.97	1.01	0.92
Citrate source fragment (+NH3)_R2	ME236852	0.74	1.19	0.92	1.15
N-ACETYL-HEXOSAMINE	ME236915	0.84	1.52	0.80	0.84
L-LYSINE_R1	ME236901	0.86	1.38	0.94	0.82
CITRULLINE	ME236855	0.99	1.41	0.89	0.71
GLYCINE	ME236877	0.85	1.11	1.04	1.00
Leu Pro_R1	ME236892	0.80	1.42	1.03	0.75
TRANS-CINNAMATE	ME236955	1.06	0.97	1.00	0.97
PYRIDOXAL	ME236941	0.85	1.32	0.94	0.88
BUTYROBETAINE	ME236846	0.64	1.69	0.82	0.85
Pantothenic Acid	ME236934	0.94	0.85	1.08	1.13
D-(+)-RAFFINOSE	ME236865	0.46	3.44	0.27	0.14
L-METHIONINE	ME236903	0.77	1.45	0.95	0.83
Tryptophan-2,3,3-D3	ME236957	1.00	0.98	1.02	1.00
Butyrylcarnitine	ME236847	0.72	1.42	0.77	1.10
ASPARTATE	ME236842	0.90	1.13	0.98	0.98
GLUCOSE/FRUCTOSE-PHOSPHATE	ME236874	0.78	1.62	0.92	0.68
Citrate source fragment (+NH3)_R1	ME236851	0.76	1.19	0.91	1.15
Glutathione Disulfide	ME236875	0.89	0.97	1.04	1.10
CREATINE	ME236857	0.77	1.35	0.90	0.99
Orthophosphate	ME236933	0.98	0.99	1.07	0.97
3-UREIDOPROPIONATE	ME236825	0.79	1.06	1.14	1.01
DIHYDROXYACETONE PHOSPHATE	ME236867	0.89	1.33	1.10	0.69
N-Butylbenzenesulfonamide	ME236927	1.03	0.97	1.02	0.98
Source Fragment TRP	ME236950	0.94	1.01	1.03	1.01
N-ACETYL-L-ASPARTIC ACID_R2	ME236918	0.87	1.02	1.08	1.02
Glycyl-L-leucine_R2	ME236879	0.82	1.52	0.92	0.74
N(PAI)-METHYL-L-HISTIDINE	ME236912	0.66	1.49	0.88	0.97
CYTOSINE_R2	ME236864	0.96	0.83	1.02	1.18
Phe-Phe	ME236937	0.66	2.04	0.63	0.66
N-BOC-L-Tryptophan_R1	ME236925	0.98	1.00	1.01	1.00
N-ACETYLNEURAMINATE	ME236919	0.91	0.77	1.25	1.07
ISOCITRIC ACID_R1	ME236883	0.82	1.21	0.90	1.07
S-CARBOXYMETHYL-L-CYSTEINE	ME236948	0.60	1.47	1.35	0.58
N-METHYL-D-ASPARTIC ACID;O-ACETYL-L-SERINE;L-GLUTAMIC ACID;O-Acetyl-L-Serine	ME236931	0.77	1.27	0.95	1.00
Ribulose 5-Phosphate	ME236947	1.26	0.66	1.33	0.76
THREONINE/HOMOSERINE	ME236954	0.85	1.12	1.04	0.99
PUTRESCINE	ME236940	0.60	1.96	0.84	0.60
Cyclic-ADP Ribose	ME236859	0.86	1.16	0.94	1.03
CYTOSINE_R1	ME236863	0.93	0.96	0.97	1.13
L-LEUCINE	ME236898	0.82	1.29	0.98	0.91
METHYL BETA-D-GALACTOSIDE	ME236911	1.25	0.48	1.01	1.26
PYRIDOXAMINE	ME236942	0.88	1.38	0.95	0.79
CYS-GLY	ME236860	0.70	1.88	0.71	0.72
5-Hydroxy-N-formylkynurenine	ME236833	1.09	0.95	1.01	0.96
BOC-L-Tyrosine_R2	ME236845	1.01	1.00	1.01	0.98
Phenylalanine	ME236936	0.85	1.20	0.99	0.96
PHOSPHOCHOLINE	ME236938	0.71	1.64	0.78	0.87
N-ACETYL-DL-GLUTAMIC ACID	ME236914	0.91	0.92	0.98	1.19

Factors:

F1	Treatment:Condition-1
F2	Treatment:Condition-2
F3	Treatment:Condition-3
F4	Treatment:Control

Data matrix