Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002459)

Reversed phase POSITIVE ION MODE (Analysis AN004011)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7
Gluconate	ME581410	1.14	0.55	0.80	NA	1.28	NA	NA
3,5-Diiodo-L-Thyronine	ME581459	NA	NA	NA	1.70	0.93	0.68	1.02
Hyodeoxycholic acid	ME581499	NA	NA	NA	1.38	0.98	0.89	1.03
5^-Deoxyadenosine	ME581442	NA	NA	NA	1.34	0.82	0.86	1.20
OH-MiNP (7-OH-(Mono-methyl-octyl) phthalate)	ME581474	NA	NA	NA	1.36	0.91	0.67	1.29
Retinoate	ME581508	NA	NA	NA	1.20	0.89	0.25	1.57
Riboflavin	ME581453	NA	NA	NA	0.94	0.77	0.84	1.69
Arachidonic Acid	ME581519	NA	NA	NA	1.10	0.76	0.65	1.55
2-O-ethyl PAF C-16	ME581530	NA	NA	NA	1.14	0.80	0.76	1.39
S-Budesonide	ME581494	NA	NA	NA	1.00	0.89	0.71	1.40
O-Propionyl-L-carnitine	ME581432	NA	NA	NA	1.24	1.33	0.55	1.34
O-Myristoyl-L-carnitine	ME581486	NA	NA	NA	0.98	1.16	0.47	1.37
Sarcosine	ME581414	NA	NA	NA	0.98	1.31	0.44	1.26
12,13-DiHOME	ME581495	NA	NA	NA	0.79	1.15	0.58	1.35
Laurate	ME581502	NA	NA	NA	0.79	1.07	0.72	1.28
Uracil 5-carboxylate	ME581429	NA	NA	NA	0.84	1.11	0.69	1.25
Dihomo-Gamma-Linolenic acid	ME581526	NA	NA	NA	1.03	1.01	0.71	1.11
Dipalmitoyl-Phosphoethanolamine	ME581546	NA	NA	NA	0.91	1.28	0.63	1.13
L-Glutamic acid / O-Acetylserine	ME581411	0.09	0.11	0.10	1.02	1.20	0.76	1.13
1-Arachidonoylglycerol	ME581513	NA	NA	NA	0.60	1.28	0.47	0.98
Heptanoate	ME581461	NA	NA	NA	0.82	1.62	0.69	0.75
Sphingomyelin	ME581547	NA	NA	NA	0.82	1.57	0.55	0.94
25-Hydroxycholesterol	ME581532	NA	NA	NA	0.91	1.27	0.10	1.28
Alpha-Tocotrienol	ME581536	NA	NA	NA	1.04	1.13	0.11	1.12
POV-PC	ME581517	NA	NA	NA	0.70	1.38	0.09	1.63
Methylthioadenosine	ME581450	NA	NA	NA	1.09	1.27	0.18	1.48
Quinate	ME581425	NA	NA	NA	0.91	1.39	0.20	1.43
O-Octadecanoyl-L-Carnitine	ME581509	NA	NA	NA	0.88	1.35	0.15	1.54
O-Palmitoyl-L-carnitine	ME581501	NA	0.01	0.00	0.91	1.28	0.24	1.59
Desmosterol	ME581533	NA	0.03	NA	1.14	1.69	0.02	1.28
Glyceryl trimyristate	ME581556	NA	NA	NA	0.80	1.49	0.01	1.17
Ophthalmate	ME581428	NA	NA	NA	0.71	1.43	0.03	1.15
MEHHP (Mono-2-ethyl-5-hydroxyhexyl phthalate)	ME581471	NA	NA	NA	0.75	1.54	0.26	1.29
9S-HODE	ME581503	NA	NA	NA	0.94	1.59	0.14	1.18
Dipalmitoyl-phosphatidylcholine	ME581554	NA	NA	NA	0.84	1.69	0.26	1.11
Oleoyl-glycerol	ME581522	0.65	0.55	0.48	0.78	1.03	1.45	0.65
cx-MiNP (MCOP) (Mono(2,6-dimethyl-6-carboxyhexyl) phthalate)	ME581475	0.48	0.20	0.60	0.92	0.61	1.41	0.99
Trimethylamine-N-Oxide	ME581413	0.27	0.23	0.81	1.05	0.90	1.32	0.80
2-Undecanone	ME581485	0.76	0.80	0.86	1.09	0.98	0.96	1.05
MOP (Mono-n-octyl phthalate) / Mono-(2-ethylhexyl) terephthalate	ME581490	0.71	0.69	0.69	0.99	0.99	1.11	0.95
N-alpha-Acetyllysine	ME581422	0.32	0.31	0.52	0.97	0.99	0.95	1.14
Cholate	ME581498	0.45	0.81	0.65	0.92	0.93	1.00	1.14
9,10-DiHOME	ME581489	0.40	0.60	0.43	1.04	0.99	0.90	1.16
Palmitoyl-EA	ME581516	0.30	0.68	0.54	1.07	1.08	0.91	1.04
R-Budesonide	ME581487	0.61	0.64	0.67	0.79	1.27	0.49	1.32
Azelate	ME581457	0.53	0.90	0.59	1.14	1.01	0.45	1.40
Deoxycorticosterone acetate	ME581500	0.60	0.80	0.64	1.01	0.86	0.81	1.36
12,13-EpOME / 9,10-EpHOME	ME581510	0.38	0.47	0.26	1.20	1.39	0.71	0.90
1-Linoleoylglycerol_2	ME581514	0.19	0.38	0.22	0.88	1.26	0.96	0.91
O-Glutaryl-L-Carnitine	ME581423	0.03	0.58	NA	1.25	1.04	0.71	1.19
Corticosterone	ME581472	NA	0.64	NA	1.08	0.78	1.05	1.14
Docosahexaenoate	ME581520	0.13	0.49	0.12	0.95	0.77	1.29	0.99
Naproxen	ME581468	NA	NA	NA	0.61	1.17	1.95	1.19
Progesterone	ME581496	NA	NA	NA	0.33	0.75	2.20	0.99
L-thyroxine (Levothyroxine), T4	ME581469	NA	NA	NA	0.92	0.38	1.92	0.73
Thyroxine	ME581470	NA	NA	NA	0.92	0.38	1.92	0.73
Ceramide d18:1/16:0	ME581541	NA	NA	NA	0.74	0.50	1.83	0.76
Didecanoyl-Glycerophosphocholine	ME581525	NA	NA	NA	0.78	0.60	1.80	0.68
Cortisol	ME581464	NA	NA	NA	0.85	0.48	1.66	0.91
O-Octanoyl-L-carnitine	ME581458	0.03	0.03	0.03	1.02	0.52	1.61	0.93
3-Methyl-2-Oxindole	ME581454	NA	NA	NA	1.02	0.54	1.62	0.83
Indole-3-Acetate	ME581451	NA	NA	NA	1.05	0.47	1.64	0.87
LysoPC(26:0)	ME581545	NA	NA	NA	1.10	0.45	1.28	0.87
Eicosapentaenoyl PAF C-16	ME581550	0.01	0.05	0.01	1.08	0.65	1.47	0.94
Indoleacetaldehyde	ME581436	NA	NA	NA	1.19	0.55	1.43	0.96
Tryptamine	ME581437	NA	NA	NA	1.15	0.60	1.44	0.90
Hippurate	ME581443	NA	NA	NA	1.40	0.64	1.36	0.85
mono-n-butylphthalate (BzBP, DnBP)	ME581467	NA	NA	NA	1.34	0.49	1.55	0.75
3OH-MBP (Mono-(3-hydroxy-n-butyl) phthalate)	ME581455	NA	NA	NA	1.28	0.53	1.47	0.83
Phenylacetylglutamine	ME581444	NA	NA	NA	1.28	0.58	1.43	0.89
MECPP (Mono-(2-ethyl-5-carboxypentyl) phthalate)	ME581466	NA	NA	NA	1.06	0.86	1.60	0.98
cis-Vaccenic Acid / Elaidate/ Oleic acid / Petroselinic acid	ME581528	NA	NA	NA	0.65	0.63	1.65	0.72
Docosapentaenoic Acid	ME581527	NA	NA	NA	0.73	0.62	1.46	0.70
Dodecanoylcarnitine (Lauroylcarnitine)	ME581479	0.17	0.18	0.16	0.92	0.72	1.34	1.06
O-Dodecanoyl-L-Carnitine	ME581480	0.14	0.14	0.12	0.89	0.72	1.35	1.07
Alpha- linolenic acid / Gamma-Linolenic acid	ME581515	NA	NA	NA	0.94	0.67	1.46	0.89
Caffeine	ME581452	NA	NA	NA	0.94	0.67	1.53	0.81
Docosahexaenoyl PAF C-16	ME581552	NA	NA	NA	0.70	0.66	1.44	1.00
Chenodeoxycholate	ME581506	NA	NA	NA	0.74	0.65	1.47	0.86
Deoxycholate	ME581507	NA	NA	NA	0.77	0.72	1.48	0.88
PAF C-16	ME581524	0.00	0.01	0.00	0.98	0.70	1.40	1.02
Adrenic Acid	ME581529	NA	NA	NA	0.82	0.64	1.40	0.99
Glycocholate	ME581484	NA	NA	NA	0.81	0.60	1.37	0.99
18:2 PE (1,2-dilinoleoyl-sn-glycero-3-phosphoethanolamine)	ME581542	NA	NA	NA	0.79	0.69	1.31	1.08
Paraxanthine	ME581447	NA	NA	NA	0.83	0.70	1.35	1.02
Cortisone	ME581465	NA	NA	NA	0.81	0.55	1.50	1.02
Glycochenodeoxycholate	ME581497	NA	NA	NA	0.90	0.55	1.40	0.95
O-Acetyl-L-carnitine	ME581418	0.00	0.00	0.01	1.13	1.18	1.16	0.72
Bisphenol F	ME581460	NA	NA	NA	1.04	0.63	1.08	1.28
PAF C-18 / LysoPC(20:0)	ME581534	NA	NA	NA	1.00	0.64	1.08	1.28
Theobromine	ME581446	NA	NA	NA	0.78	0.82	1.19	1.08
Pyroglutamic acid	ME581445	NA	NA	NA	0.87	0.83	1.20	0.96
Sphinganine	ME581492	NA	NA	NA	0.86	0.80	1.23	0.96
3-Hydroxyanthranilic acid	ME581438	NA	NA	NA	0.90	0.76	1.23	1.01
Coenzyme Q10	ME581557	NA	NA	NA	0.94	0.73	1.28	1.02
LysoPC(24:0)	ME581540	NA	NA	NA	0.94	0.73	1.28	1.01
Epinephrine	ME581421	NA	NA	NA	1.03	0.80	1.21	0.99
18:2 (Cis) PC (DLPC) (1,2-dilinoleoyl-sn-glycero-3-phosphocholine)	ME581548	0.01	0.04	0.01	1.11	0.80	1.23	1.05
Arachidonoyl PAF C-16	ME581553	0.01	0.04	0.02	1.09	0.79	1.27	1.02
O-Isovaleryl-L-carnitine	ME581441	NA	NA	NA	1.21	0.73	1.15	1.04
3-amino-4-hydroxybenzoate	ME581433	NA	NA	NA	1.12	0.83	1.10	0.97
Kynurenate	ME581448	NA	NA	NA	1.14	0.81	1.10	1.01
LysoPC(22:0)	ME581537	NA	NA	NA	1.05	0.85	1.03	1.11
Trigonelline	ME581420	NA	0.07	0.07	0.97	0.86	1.16	1.06
18:0-18:2 PC (1-stearoyl-2-linoleoyl-sn-glycero-3-phosphocholine)	ME581555	0.00	0.03	0.01	1.06	0.87	1.15	1.07
4-Guanidinobutanoic acid	ME581417	NA	NA	NA	0.99	0.86	1.13	1.07
LysoPC(16:0)	ME581512	0.00	0.01	0.00	1.02	0.87	1.15	1.09
L-carnitine	ME581412	0.03	0.04	0.10	0.96	0.90	1.23	0.98
Cholesterol	ME581539	0.00	0.00	0.00	0.93	0.96	1.17	1.00
P-Octopamine	ME581424	NA	NA	NA	0.99	0.93	1.11	0.96
Androstenedione	ME581482	NA	NA	NA	1.38	0.70	1.13	0.92
Pyridoxal	ME581419	NA	NA	NA	1.10	0.78	1.34	0.84
Bilirubin	ME581535	NA	NA	NA	1.26	0.89	1.13	0.87
N-Acetyl-S-(3-hydroxypropyl-1-methyl)-L-cysteine	ME581449	NA	NA	NA	1.17	0.84	1.21	0.90
Ceramide d18:1/18:1 (9z)	ME581544	NA	NA	NA	0.80	1.09	0.91	1.05
C16 Sphingomyelin (d18:1/16:0)	ME581543	NA	0.01	0.00	1.16	1.08	1.01	0.92
Ursodeoxycholic acid	ME581493	NA	NA	NA	1.10	1.01	1.02	0.93
Methyl 4-aminobutyrate	ME581415	0.14	0.04	0.09	1.08	0.99	0.96	1.11
Thioetheramide-PC	ME581549	0.00	0.00	0.00	1.02	1.04	0.99	1.08
Acetaminophen	ME581439	NA	NA	NA	0.30	1.01	1.38	1.96
Oleamide	ME581523	NA	0.24	0.67	0.80	0.53	0.65	1.76
Methyl galactoside	ME581426	1.44	0.90	1.41	0.50	0.95	2.65	0.93
oxo-MiNP (7-Oxo-(Mono-methyl-octyl) phthalate)	ME581473	0.69	0.10	1.40	1.55	0.66	0.67	1.33
Propyl paraben	ME581463	0.72	2.27	0.73	1.20	1.61	0.67	0.61
Glycerol-myristate	ME581511	1.40	0.99	1.01	0.27	1.28	1.03	0.93
Cortisol 21-acetate	ME581476	1.12	1.39	1.27	1.59	1.11	0.78	0.88
Erucate	ME581538	0.99	1.49	1.09	0.78	0.83	1.58	0.65
Linoleic acid	ME581521	0.98	0.82	0.91	0.82	0.71	1.45	0.83
Taurodeoxycholic acid	ME581505	0.68	1.29	1.04	1.05	0.89	1.08	0.98
Omega-Hydroxydodecanoate	ME581481	1.00	1.00	0.89	1.02	1.00	1.08	0.91
Benzophenone-3 (Oxybenzone)	ME581477	1.13	1.11	1.25	0.95	1.01	1.03	0.96
Benzyl paraben	ME581478	1.02	1.19	1.10	0.95	1.03	1.01	0.97
N-Acetylglucosamine	ME581416	NA	NA	3.83	4.84	0.59	0.34	0.57
O-Butyryl-L-carnitine	ME581435	NA	NA	NA	4.72	0.46	0.67	0.56
Dipalmitoylglycerol	ME581551	4.41	4.09	4.50	0.87	1.42	0.44	0.81
Bis(2-ethylhexyl)phthalate	ME581531	0.59	5.64	0.55	1.02	1.93	0.60	0.33
Trans-Cinnamate	ME581456	1.62	3.39	2.14	1.03	0.99	0.82	1.03

Factors:

F1	SampleType:matrix \| Sampler:DBS
F2	SampleType:matrix \| Sampler:plasma
F3	SampleType:matrix \| Sampler:VAM
F4	SampleType:PooledQC \| Sampler:LQC
F5	SampleType:sample \| Sampler:DBS
F6	SampleType:sample \| Sampler:plasma
F7	SampleType:sample \| Sampler:VAM

Data matrix