Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolomics Approach to Allograft Assessment in Liver Transplantation (part II) (Study ST000424)

Reversed phase POSITIVE ION MODE (Analysis AN000673)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8	F9
Acetaminophen/Paracetamol	ME149317	0.50	0.08	0.03	0.08	17.97	0.06	0.52	0.02	0.31
O-PHOSPHOSERINE	ME149390	1.65	1.38	0.04	0.10	0.04	1.59	7.42	0.02	0.29
Levofloxacin	ME149368	0.00	3.50	NA	0.00	NA	0.00	NA	NA	0.00
LysoPC (16:0)	ME149376	0.23	6.30	0.08	0.56	0.33	0.49	0.25	0.15	0.17
3-AMINO-4-HYDROXYBENZOIC ACID	ME149293	0.46	0.71	0.46	0.75	2.29	0.18	0.16	4.85	0.66
3-UREIDOPROPIONATE	ME149298	0.46	0.38	1.19	0.56	4.50	0.17	3.14	0.71	1.13
LL-2,6-DIAMINOHEPTANEDIOATE	ME149372	1.20	0.30	1.22	0.30	1.13	1.01	4.33	0.93	0.87
3^-CMP	ME149294	0.87	0.76	2.28	0.20	4.59	0.12	0.39	0.28	1.13
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATE	ME149322	0.70	0.37	2.33	1.04	3.12	0.16	0.21	1.74	1.00
URATE	ME149414	0.64	0.48	1.99	1.03	3.12	0.22	0.70	0.56	1.27
ISOCITRIC ACID	ME149360	0.40	0.56	2.62	0.60	2.44	0.59	0.85	1.10	1.30
Pantothenic Acid	ME149391	0.84	0.43	3.03	0.49	3.09	0.06	1.15	0.72	1.10
3-HYDROXY-3-METHYLGLUTARATE	ME149295	2.56	0.25	0.63	0.32	1.02	0.33	0.47	0.43	0.81
METHYLMALONATE	ME149378	2.86	0.12	0.53	0.52	0.20	0.16	0.17	0.49	0.79
4-O-Methylgallic Acid	ME149303	3.61	0.19	0.11	0.93	0.07	0.02	0.03	0.50	0.29
Gallic Acid	ME149345	3.88	0.27	0.31	0.18	0.16	0.23	0.15	0.15	0.28
CITRAMALATE	ME149328	3.54	0.09	0.04	0.07	0.04	0.04	0.02	0.04	0.71
Lidocaine	ME149370	2.91	0.02	NA	NA	0.00	0.01	NA	0.00	0.55
GUANINE	ME149352	1.68	2.56	0.39	0.59	0.62	0.31	0.24	0.55	0.51
4-IMIDAZOLEACETIC ACID	ME149302	2.54	0.86	0.31	0.34	0.56	0.76	0.26	1.31	0.44
Caffeine-D3	ME149327	2.13	1.24	0.54	1.01	0.41	0.40	0.42	0.81	0.53
N-ACETYL-L-ALANINE	ME149381	1.60	1.41	0.40	0.75	0.41	0.42	0.31	1.17	0.80
2^-DEOXYADENOSINE	ME149278	0.88	1.89	0.37	1.76	2.53	0.21	0.06	0.44	0.79
HEXOSE-DISACCHARIDE	ME149354	0.74	1.52	0.61	3.01	1.03	0.26	0.20	0.75	0.76
L-(+)-Lactic Acid	ME149363	0.67	0.95	0.34	3.02	0.56	0.28	0.30	1.53	0.90
Decanoylcarnitine	ME149339	1.14	0.64	0.59	0.31	0.35	2.04	0.23	1.35	1.23
Dodecanoylcarnitine	ME149343	0.93	0.50	0.09	0.35	0.03	3.17	0.05	0.92	1.50
ANTHRANILATE/4-AMINOBENZOATE	ME149323	1.09	0.72	0.60	1.38	1.78	1.71	0.29	0.37	1.07
N(PAI)-METHYL-L-HISTIDINE	ME149379	1.40	0.72	0.44	0.39	1.49	2.40	1.08	0.69	0.91
N-AMIDINO-L-ASPARTATE	ME149387	0.19	0.76	0.26	0.12	0.58	0.79	0.20	1.77	1.90
CITRATE	ME149329	0.89	1.01	1.95	0.93	0.15	1.38	0.79	1.00	1.05
Octanoylcarnitine	ME149389	1.19	0.52	1.90	0.30	0.45	1.52	0.41	1.31	1.12
Hippuric Acid	ME149355	0.77	1.16	0.10	1.09	0.09	1.55	1.23	1.13	1.15
Hydroxyhippuric acid	ME149356	0.76	1.10	0.12	1.14	0.01	1.69	1.27	1.16	1.15
Glutathione Disulfide_R2	ME149350	0.98	0.48	0.62	1.14	0.58	1.25	0.84	0.21	1.46
S-CARBOXYMETHYL-L-CYSTEINE	ME149401	1.17	1.08	0.65	1.42	0.10	1.52	0.32	0.45	1.07
4-HYDROXYPROLINE	ME149301	2.09	0.41	0.98	0.60	0.64	0.75	1.60	0.86	0.68
3-SULFINO-L-ALANINE	ME149297	1.16	1.11	0.49	0.75	0.36	0.30	1.90	0.99	1.04
L-CYSTEIC ACID	ME149365	1.48	1.44	0.55	0.72	0.61	0.62	1.74	0.80	0.72
METHYL BETA-D-GALACTOSIDE	ME149377	0.82	0.48	0.42	0.88	0.22	0.98	2.63	1.28	1.24
GLUCOSE/FRUCTOSE-PHOSPHATE	ME149347	0.72	0.83	0.05	0.53	0.34	0.80	1.74	1.24	1.43
Glutathione	ME149348	0.93	0.90	0.24	0.65	0.65	0.90	1.99	1.31	1.12
Isovalerylcarnitine/Valerylcarnitine	ME149361	0.66	0.20	1.70	0.19	1.47	0.22	1.38	0.53	1.74
Isobutyrylcarnitine/Butyrylcarnitine	ME149359	0.88	0.51	1.10	0.24	0.71	0.36	0.73	0.83	1.63
QUINATE	ME149399	0.88	0.47	1.46	1.07	0.43	0.05	0.79	0.30	1.59
DIHYDROXYACETONE PHOSPHATE	ME149342	0.45	0.75	0.79	1.37	0.85	0.14	1.07	1.35	1.40
Ribulose 5-Phosphate	ME149400	1.08	0.79	0.39	1.47	0.51	0.21	1.05	0.98	1.14
THYMINE	ME149406	1.23	1.70	0.55	1.00	1.49	0.57	0.37	0.87	0.76
5-METHYLCYTOSINE HYDROCLORIDE	ME149304	1.07	1.68	0.50	0.97	1.98	0.44	0.46	0.92	0.81
CYTOSINE	ME149337	1.16	1.52	0.58	0.70	1.82	0.70	0.58	0.95	0.83
4-HYDROXY-L-PHENYLGLYCINE	ME149300	0.95	1.22	1.12	1.74	1.19	0.56	0.34	0.97	0.87
D-(+)-RAFFINOSE	ME149338	0.91	1.12	0.94	1.34	1.02	0.83	0.85	0.98	0.98
ERYTHRITOL	ME149344	0.87	1.11	0.92	1.48	1.25	0.54	0.86	0.97	0.98
GLYCEROL	ME149351	0.94	1.23	0.90	1.64	1.08	0.52	0.64	1.07	0.88
HEXOSE-6-PHOSPHATE	ME149353	0.78	0.94	0.76	1.13	0.90	0.76	1.26	1.07	1.15
TAURINE	ME149404	0.96	1.00	1.27	1.49	0.86	0.74	1.15	1.06	0.89
TRANS-CINNAMATE	ME149407	1.11	0.77	1.09	1.26	0.95	0.66	1.08	1.20	0.93
DIETHANOLAMINE	ME149341	1.01	1.31	0.32	1.04	0.89	0.82	0.62	0.96	1.05
ALDO/KETO-HEXOSE	ME149321	0.93	1.09	0.44	0.77	1.47	0.63	0.73	0.98	1.16
GLUCOSAMINE/MANNOSAMINE	ME149346	0.94	0.99	0.41	0.71	1.29	0.55	0.99	0.94	1.22
Caffeine 13C3	ME149326	1.38	1.69	0.88	0.93	0.76	0.37	0.61	1.03	0.68
Creatine-D3	ME149333	1.33	1.54	0.74	0.99	0.73	0.59	0.68	1.07	0.73
L-Leucine-D10	ME149373	1.32	1.52	0.86	0.88	0.86	0.50	0.72	1.10	0.74
Tryptophan-2,3,3-D3	ME149410	1.30	1.58	0.87	0.87	0.83	0.53	0.72	1.08	0.74
Tryptophan-2,3,3-D3-NH3	ME149411	1.32	1.56	0.87	0.87	0.82	0.51	0.70	1.10	0.73
CREATINE	ME149332	1.05	1.13	0.90	0.67	1.00	0.60	1.15	1.43	0.94
CREATININE	ME149334	1.51	1.08	0.84	0.61	1.12	0.62	1.14	0.82	0.83
N-ACETYL-DL-GLUTAMIC ACID	ME149380	0.69	0.73	0.76	0.42	1.45	1.16	1.67	1.76	1.12
L-PROLINE	ME149375	1.06	0.66	1.75	0.51	1.56	0.46	1.71	0.43	1.17
PHOSPHOCHOLINE	ME149395	1.12	0.75	2.16	0.32	1.41	0.28	1.39	0.96	1.04
THREONINE/HOMOSERINE	ME149405	0.89	0.74	2.06	0.90	1.36	0.46	1.27	0.99	1.05
PIPECOLATE/L-PIPECOLIC ACID	ME149397	0.92	0.65	1.99	0.55	2.20	0.56	1.17	1.28	0.98
URACIL	ME149413	0.99	1.07	0.93	0.95	1.94	0.48	1.24	1.04	0.91
URIDINE	ME149415	0.77	0.86	1.27	0.98	2.03	0.16	1.29	1.25	1.05
L-METHIONINE	ME149374	0.98	0.45	1.65	0.95	2.06	0.34	1.20	0.65	1.16
L-Isoleucine	ME149371	0.94	0.67	1.56	0.91	2.19	0.48	1.06	0.80	1.07
Tryptophan	ME149409	0.84	0.75	1.63	0.93	2.19	0.54	1.20	0.86	1.05
Tryptophan-NH3	ME149412	0.84	0.74	1.65	0.93	2.18	0.53	1.19	0.87	1.05
Leucine	ME149367	0.88	0.61	1.44	0.83	2.13	0.40	1.13	0.80	1.17
Phenylalanine	ME149393	0.85	0.64	1.42	0.86	2.07	0.54	1.36	0.77	1.14
Phenylalanine-HCOOH	ME149394	0.86	0.64	1.41	0.87	2.10	0.52	1.35	0.78	1.14
ALANINE/SARCOSINE	ME149320	0.77	0.58	1.42	0.61	1.71	0.50	1.46	1.05	1.25
SUCCINATE	ME149403	0.78	0.60	1.25	0.42	2.31	0.46	1.25	1.02	1.27
KYNURENINE	ME149362	1.42	0.79	1.71	0.94	0.93	0.52	1.63	0.60	0.83
CITRULLINE	ME149330	0.83	0.72	1.88	0.82	0.49	1.05	1.60	0.76	1.19
CMP	ME149331	0.95	0.67	1.79	0.75	0.76	1.06	1.41	0.85	1.13
ADENOSINE 5^-MONOPHOSPHATE	ME149319	1.07	0.53	1.56	0.58	1.43	1.26	1.35	0.83	1.08
NAD	ME149385	0.80	0.70	1.22	0.33	1.58	1.21	1.02	0.87	1.31
(R)-MALATE	ME148999	0.69	0.92	0.96	0.70	1.48	1.01	0.85	1.31	1.19
3-METHOXYTYRAMINE	ME149296	1.05	1.06	1.31	0.88	0.82	0.87	0.93	0.80	1.04
SN-GLYCEROL 3-PHOSPHATE	ME149402	0.84	0.79	1.35	0.65	1.31	0.51	0.92	0.90	1.28
PHENETHYLAMINE	ME149392	0.95	0.97	1.66	0.83	1.72	0.92	0.98	0.93	0.94
ADENINE	ME149318	1.00	0.91	1.34	0.80	1.17	1.03	1.12	0.83	1.04
L-CARNITINE	ME149364	0.92	0.96	1.50	0.78	1.37	0.77	0.99	0.98	1.05
ASPARTATE	ME149324	1.07	1.10	0.89	0.92	0.90	1.36	1.34	1.05	0.87
Glutathione Disulfide_R1	ME149349	0.90	0.87	1.26	0.77	0.88	0.71	1.78	0.86	1.12
N-METHYL-D-ASPARTIC ACID	ME149388	1.04	0.92	0.96	0.65	1.12	1.32	1.69	0.84	1.00
1-AMINOCYCLOPROPANE-1-CARBOXYLATE	ME149185	1.00	0.83	1.23	0.71	1.33	1.02	1.58	0.88	1.02
L-GLUTAMINE	ME149369	0.98	0.84	1.00	0.86	1.12	0.85	1.59	1.00	1.03
L-CYSTEINE	ME149366	0.75	0.60	0.68	0.83	1.16	0.30	1.39	0.93	1.42
CYS-GLY	ME149335	0.57	0.75	1.14	1.02	1.54	0.68	1.79	1.06	1.20
HYPOXANTHINE	ME149358	0.86	0.97	0.91	0.84	1.40	0.34	1.26	1.14	1.11
5-OXO-L-PROLINE	ME149305	0.90	0.86	1.30	1.09	1.41	0.64	1.28	0.81	1.06
N-ACETYLNEURAMINATE	ME149383	1.01	0.80	1.05	0.87	1.43	0.68	1.43	0.89	1.05
PICOLINIC ACID	ME149396	0.57	0.65	1.47	0.58	1.20	0.35	2.13	0.83	1.40
Proprionylcarnitine	ME149398	1.04	0.93	1.16	0.37	1.43	0.27	2.54	0.79	1.04
4-AMINOBUTANOATE	ME149299	1.18	0.64	0.76	0.30	1.91	1.16	2.09	0.80	1.01
CYTIDINE 5^-DIPHOSPHOCHOLINE	ME149336	0.85	0.90	1.54	0.22	2.14	1.18	2.00	0.76	1.03
D-GLUCOSAMINE 6-PHOSPHATE	ME149340	0.62	0.74	0.48	1.18	2.22	0.45	1.42	0.98	1.22
XANTHOSINE	ME149416	0.47	1.28	0.31	0.87	2.02	0.21	1.23	0.44	1.43
N-ACETYLPUTRESCINE	ME149384	0.67	1.28	1.02	0.35	1.40	0.21	0.50	1.71	1.19
N-ALPHA-ACETYL-L-LYSINE	ME149386	0.67	0.74	0.42	0.53	2.28	0.14	0.37	1.29	1.45
BETAINE	ME149325	1.16	0.87	2.43	0.46	0.78	0.22	2.04	0.46	1.03
HYPOTAURINE	ME149357	0.58	0.99	2.17	1.37	1.18	0.59	1.45	1.99	0.76
N-ACETYL-L-ASPARTIC ACID	ME149382	1.17	0.75	2.37	1.78	1.19	0.39	1.20	0.65	0.74

Factors:

F1	DONOR CAUSE OF DEATH:Anoxia \| SEX:F \| Hep C Positive Donor:NO
F2	DONOR CAUSE OF DEATH:Anoxia \| SEX:M \| Hep C Positive Donor:NO
F3	DONOR CAUSE OF DEATH:Anoxia \| SEX:M \| Hep C Positive Donor:YES
F4	DONOR CAUSE OF DEATH:Cerebrovascular/Stroke \| SEX:F \| Hep C Positive Donor:NO
F5	DONOR CAUSE OF DEATH:Cerebrovascular/Stroke \| SEX:M \| Hep C Positive Donor:NO
F6	DONOR CAUSE OF DEATH:CVA \| SEX:F \| Hep C Positive Donor:NO
F7	DONOR CAUSE OF DEATH:CVA \| SEX:M \| Hep C Positive Donor:NO
F8	DONOR CAUSE OF DEATH:Trauma \| SEX:F \| Hep C Positive Donor:NO
F9	DONOR CAUSE OF DEATH:Trauma \| SEX:M \| Hep C Positive Donor:NO

Data matrix