Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Insights into the pathogenesis of myalgic encephalomyelitis/chronic fatigue syndrome (ME/CFS) through metabolomic profiling of cerebrospinal fluid (part IV) (Study ST000913)

HILIC POSITIVE ION MODE (Analysis AN001483)

Metabolite	Structure	F1	F2	F3	F4	F5	F6
Chlordiazepoxide	ME230864	0.24	0.18	0.29	1.88	0.12	7.29
Meprobamate	ME230825	1.55	0.04	0.05	0.04	4.78	0.05
4-Methyl-5-thiazoleethanol?	ME230889	0.29	0.11	2.60	NA	NA	NA
Carnosine	ME230865	3.28	0.22	0.13	0.09	0.20	NA
Glutamic acid	ME230843	2.06	0.59	0.61	NA	0.56	0.67
1_D9-Butyrobetaine iSTD	ME230797	2.57	0.11	0.45	0.16	1.21	0.12
Acetominophen	ME230884	2.41	0.45	0.88	0.17	0.31	0.01
Aspartic acid	ME230873	2.79	0.27	0.71	0.33	0.59	0.22
Biotin	ME230870	0.80	1.00	0.87	0.93	1.16	2.88
Kaempferol	ME230834	0.68	NA	0.61	2.27	1.38	2.02
Carbamazepine	ME230867	1.32	0.01	0.99	0.01	2.41	NA
Indole-3-acetamide	ME230838	1.33	2.71	0.79	0.88	1.05	0.43
Crotetamide	ME230857	0.30	0.00	1.75	1.64	1.08	0.03
Proline	ME230811	0.93	0.84	0.97	NA	NA	1.25
1-Methylnicotinamide	ME230898	0.99	0.45	1.81	0.38	0.63	0.32
Diazepam	ME230852	1.36	NA	1.08	NA	0.85	0.63
Lidocaine	ME230830	0.09	1.02	1.72	0.27	1.70	0.73
Nordiazepam	ME230818	0.34	0.01	1.44	NA	1.19	1.02
2-Hydroxychalcone	ME230895	0.55	NA	1.05	0.81	1.23	1.23
Ecgonine	ME230849	0.48	0.50	1.46	0.64	1.62	1.00
3-Hydroxypyridine	ME230893	1.89	0.89	0.41	0.56	1.65	0.48
Cyclohexanamine	ME230856	1.70	0.53	0.75	0.64	0.94	1.43
1_D3-L-Carnitine iSTD	ME230794	2.12	0.78	0.60	0.80	0.54	1.00
Carnitine	ME230866	1.85	1.09	0.74	0.68	0.74	1.15
Arachidonyldopamine	ME230876	0.88	0.70	0.94	0.90	1.27	1.80
CocamidopropylBetaine	ME230861	0.91	0.85	0.84	1.00	1.19	1.92
Butylisopropylamine	ME230869	1.18	1.02	1.05	0.66	0.58	1.69
Hexylamine	ME230841	1.07	1.03	1.00	0.86	0.72	1.58
5^-Methylthioadenosine	ME230886	0.99	0.61	1.14	0.94	0.98	1.27
L-beta-Homolysine	ME230832	0.93	0.64	1.19	1.00	0.79	1.47
Indole-3-carboxaldehyde	ME230837	1.13	1.68	0.84	1.44	0.64	0.18
Caffeine	ME230868	1.32	1.36	0.69	1.14	0.86	0.73
Diethanolamine	ME230851	1.20	1.43	0.85	0.86	1.07	0.32
4-Guanidinobutyric acid	ME230890	0.89	1.71	0.96	1.03	0.97	0.27
Glu-Gln	ME230844	0.87	1.38	1.04	1.03	0.99	0.60
6-Hydroxyflavone	ME230885	0.99	1.34	0.85	0.76	1.06	1.23
Trehalose	ME230806	0.92	1.12	0.87	0.86	1.35	1.15
1,4-Cyclohexanedione	ME230897	0.92	1.51	0.93	0.66	1.25	0.79
2,2^,2^^-Nitrilotriethanol	ME230894	0.79	1.84	0.87	0.69	1.24	1.07
1,7-Dimethylxanthine	ME230896	1.53	0.67	0.84	1.03	0.71	0.90
Citrulline	ME230862	1.58	0.59	0.93	0.89	0.86	0.56
Cystine	ME230855	1.61	0.43	0.83	0.76	0.99	0.57
Trigonelline	ME230805	1.26	0.53	0.97	1.02	1.26	0.48
Isoproturon-desmethyl	ME230835	1.36	0.62	1.01	1.16	0.98	0.12
Methioninesulfoxide	ME230824	1.28	0.91	0.93	1.27	0.82	0.37
Cotinine	ME230860	0.65	0.58	1.28	1.39	1.06	0.80
Gabapentin	ME230846	0.87	0.95	0.92	1.63	0.94	0.78
1-Hexadecanoyl-sn-glycero-3-phosphocholine	ME230900	0.77	0.52	1.07	0.93	1.73	0.92
N-Tetracosenoyl-4-sphingenyl-1-O-phosphorylcholine	ME230819	0.74	0.67	1.01	0.92	1.87	0.73
Pro-Leu	ME230812	0.79	0.78	0.92	1.06	1.72	0.82
Acetylcarnitine	ME230883	0.78	0.59	1.07	1.15	1.48	0.84
L-beta-Homoleucine	ME230833	0.72	0.83	1.08	0.92	1.55	0.88
Piperine	ME230813	0.98	1.11	0.72	1.10	1.65	0.81
Isoleucine	ME230836	1.00	0.80	0.87	1.01	1.49	0.87
Phenylalanine	ME230815	0.95	0.85	0.95	1.02	1.31	0.98
Pantothenic acid	ME230816	0.94	1.07	1.20	1.18	0.69	0.46
Anserine	ME230877	1.18	0.86	1.21	0.59	0.80	0.91
N-Acetylhistidine	ME230821	1.13	0.89	1.08	0.79	1.19	0.37
Cytidine	ME230854	1.15	1.03	1.07	0.83	0.93	0.50
Cytosine	ME230853	1.20	1.03	1.07	0.77	0.92	0.43
1_D9-Crotonobetaine iSTD	ME230800	1.11	1.01	0.96	0.96	0.84	1.17
Androstenedione	ME230878	1.11	1.26	0.95	0.88	0.81	0.98
Aminolevulinic acid	ME230879	1.17	1.11	0.87	0.93	1.11	0.70
gamma-Glutamylleucine	ME230845	1.13	1.02	0.91	0.87	1.21	0.71
Ethanolamine	ME230847	0.96	1.01	1.07	0.77	1.14	0.94
Dihydrocapsaicin	ME230850	0.99	1.05	0.99	1.14	1.01	0.78
Erucamide	ME230848	1.11	1.11	0.91	0.99	0.98	0.89
Lys-Arg-Lys	ME230829	1.06	1.13	0.88	1.17	0.94	0.90
Betaine	ME230871	1.02	1.01	0.94	0.96	1.11	1.03
5,2^,3^-Trimethoxyflavanone	ME230887	0.96	0.84	1.04	1.05	1.05	1.06
Adenine	ME230882	0.95	0.91	1.07	1.05	0.98	0.98
1_D3-Creatine iSTD	ME230788	1.07	1.02	0.97	0.96	0.95	1.05
1_15N2-L-Arginine iSTD	ME230785	1.07	0.92	1.04	0.95	0.94	0.94
1_D5-L-Glutamine iSTD	ME230795	1.10	0.90	1.04	0.93	0.94	0.91
1_D3-DL-Alanine iSTD	ME230790	1.05	0.90	1.02	0.98	0.97	1.03
1_D3-Histamine,N-methyl- iSTD	ME230793	1.03	0.89	1.02	0.98	1.02	0.96
Histamine	ME230840	1.04	0.88	1.01	1.00	1.03	0.96
Creatinine	ME230858	1.02	1.00	0.98	1.02	1.04	0.90
1_D9-Betaine iSTD	ME230796	1.02	0.98	1.01	0.99	0.98	0.95
1_D9-TMAO iSTD	ME230801	1.02	0.98	1.01	0.98	1.00	0.94
1_D3-Creatinine iSTD	ME230789	1.01	0.97	1.02	0.98	0.97	1.00
1_D9-Choline iSTD	ME230799	0.99	0.97	1.02	1.02	1.00	0.98
Allopurinol	ME230881	1.07	1.12	1.01	0.89	0.95	0.78
4-Acetamidobutyric acid	ME230891	1.14	0.96	0.97	0.94	1.04	0.76
Choline	ME230863	1.10	1.01	0.97	0.91	1.06	0.83
1_CUDA iSTD	ME230786	1.02	1.04	1.02	0.99	0.97	0.86
1_D9-Caffeine iSTD	ME230798	0.97	1.04	1.05	1.01	0.97	0.86
1_D3-AC(2:0) iSTD	ME230787	1.07	0.99	1.02	0.96	0.97	0.81
1_Val-Tyr-Val iSTD	ME230802	1.02	0.95	1.06	0.94	1.03	0.81
1_D3-DL-Aspartic acid iSTD	ME230791	1.11	0.84	1.11	0.89	0.92	0.75
1_D3-DL-Glutamic acid iSTD	ME230792	1.10	0.84	1.08	0.95	0.91	0.82
Asparagine	ME230874	1.08	0.83	1.08	0.94	0.99	0.80
Pyroglutamic acid	ME230809	1.03	0.85	1.10	0.96	0.99	0.81
Glutamine	ME230842	0.95	0.89	1.07	1.02	1.06	0.88
L-Pyroglutamic acid	ME230831	0.96	0.89	1.08	1.01	1.07	0.84
Trimethyllysine	ME230803	1.00	0.85	1.07	0.97	1.11	0.75
Arginine	ME230875	0.97	0.90	1.07	1.05	1.06	0.71
Creatine	ME230859	1.00	0.93	1.03	1.03	1.06	0.77
Serine	ME230808	1.21	0.81	1.02	0.80	1.03	0.84
3-Methylhistidine	ME230892	0.96	0.81	1.20	0.90	1.06	0.63
Histidine	ME230839	1.12	0.76	1.08	0.85	1.11	0.72
Lys-Ile	ME230828	1.13	0.82	1.06	0.97	1.04	0.55
Trimethylamine N-oxide	ME230804	1.05	0.89	1.02	0.94	1.17	0.66
Lys-Val	ME230827	1.16	0.83	1.02	0.88	1.14	0.62
Threonine	ME230807	1.09	0.79	1.06	0.92	1.15	0.58
N-Methylglutamic acid	ME230820	1.01	0.88	0.99	1.25	1.05	0.64
alpha-Methyl-DL-histidine	ME230880	0.97	0.61	1.15	1.07	1.07	0.81
Putrescine	ME230810	1.04	0.67	1.16	1.05	0.97	0.71
beta-Alanine	ME230872	0.98	0.80	0.97	1.14	1.20	0.86
N-acetyl putrescine	ME230822	1.00	0.83	0.96	1.11	1.23	0.79
1-methyladenosine	ME230899	1.12	0.83	0.97	1.03	1.08	0.80
Ornithine	ME230817	1.08	0.69	0.99	1.08	1.17	0.80
Lysine	ME230826	1.02	0.75	1.05	1.06	1.12	0.80
Pipecolinic acid	ME230814	1.04	0.77	1.03	1.08	1.12	0.76

Factors:

F1	Diagnosis:MECFS \| Sex:FEMALE
F2	Diagnosis:MECFS \| Sex:MALE
F3	Diagnosis:MS \| Sex:FEMALE
F4	Diagnosis:MS \| Sex:MALE
F5	Diagnosis:ND \| Sex:FEMALE
F6	Diagnosis:ND \| Sex:MALE

Data matrix