Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST001040)

HILIC POSITIVE ION MODE (Analysis AN001702)

Metabolite	Structure	F1	F2
Sepiapterin	ME251533	NA	1.00
Phenylglycine	ME251575	NA	1.00
Noradrenaline	ME251645	NA	1.00
nicotine-1-N-oxide	ME251641	NA	1.00
L-Cysteine	ME251602	NA	1.00
Fucose	ME251544	NA	1.00
Folate	ME251548	NA	1.00
Cytidine 2^,3^-Cyclic Phosphate	ME251631	NA	1.00
Cadaverine	ME251661	NA	1.00
Aniline-2-Sulfonate	ME251528	NA	1.00
2-Phosphoglycerate	ME251572	NA	1.00
5-Hydroxylysine	ME251656	NA	1.00
Sucrose / Trehalose / Lactose	ME251597	1.45	0.91
2-Deoxy-D-Glucose	ME251569	1.19	0.96
Pro-Gly	ME251624	1.17	0.97
Dopamine	ME251559	1.14	0.97
5-aminolevulinic acid	ME251621	1.12	0.97
4-Hydroxybenzaldehyde	ME251491	1.11	0.98
Phenol	ME251489	1.11	0.98
L-Histidine	ME251652	1.12	0.98
Pipecolate	ME251586	1.12	0.98
Phenylethanolamine	ME251571	1.31	0.93
Diethanolamine	ME251640	1.25	0.92
Galactitol	ME251570	1.25	0.95
Adrenaline(Epinephrine)	ME251626	1.09	0.98
Hippurate	ME251490	1.09	0.98
1-Methyl-L-Histidine	ME251653	1.07	0.99
1-Methylnicotinamide	ME251627	1.07	0.99
Sarcosine	ME251604	1.08	0.99
Inosine	ME251541	1.08	0.99
Kynurenine	ME251557	1.08	0.99
Guanosine	ME251562	1.04	0.99
Pyroglutamate	ME251512	1.03	0.99
Pantothenate	ME251507	1.03	0.99
Dihydrobiopterin	ME251568	1.03	0.99
Carnitine	ME251615	1.03	0.99
1-Methyluric Acid	ME251536	1.03	0.99
5-Methylcytosine	ME251622	1.03	0.99
Tryptophan	ME251567	1.05	0.99
Paraxanthine / Theobromine /Theophylline	ME251495	1.05	0.99
N-Methyl-D-aspartic acid	ME251611	1.05	0.99
Deoxycytidine	ME251632	1.05	0.99
Lumichrome	ME251483	1.05	0.99
Thiopurine S-Methylether	ME251494	1.06	0.99
L-Methionine	ME251574	1.06	0.99
Phenylacetylglutamine	ME251510	1.06	0.99
Xanthosine	ME251542	0.98	1.00
Uracil	ME251511	0.98	1.00
Succinate	ME251534	0.98	1.00
Nicotinamide	ME251516	0.98	1.00
N-Acetylasparagine	ME251531	0.98	1.00
Glutamine	ME251625	0.98	1.00
Dihydrouracil	ME251503	0.98	1.00
Deoxycarnitine	ME251577	0.98	1.00
Asymmetrical dimethylarginine	ME251651	0.98	1.00
3-Nitro-L-Tyrosine	ME251546	0.98	1.00
5^-Deoxyadenosine	ME251547	0.98	1.00
Tryptamine	ME251563	0.99	1.00
Thymine	ME251504	0.99	1.00
S-Adenosylhomocysteine	ME251646	0.99	1.00
Kynurenic acid	ME251515	0.99	1.00
Hydroxykynurenine	ME251588	0.99	1.00
Glutarylcarnitine	ME251553	0.99	1.00
D/L N-Acetylgalactosamine / D/L N-Acetylglucosamine / D/L N-Acetylmannosamine	ME251550	0.99	1.00
D/L Glucosamine/ D/L Galactosamine/ D-Mannosamine	ME251649	0.99	1.00
Dimethylglycine	ME251598	0.99	1.00
Cyclic AMP	ME251596	0.99	1.00
Caffeine	ME251482	0.99	1.00
Asparagine	ME251636	0.99	1.00
4-Aminobenzoate / Anthranilate	ME251488	0.99	1.00
Aminoisobutanoate / 2-Aminoisobutyrate / Gamma-aminobutyrate	ME251606	0.99	1.00
Ureidopropionate	ME251527	1.02	1.00
Taurine	ME251600	1.02	1.00
N-Alpha-Acetyllysine	ME251623	1.02	1.00
N6-(Delta2-Isopentenyl)-Adenine	ME251521	1.02	1.00
Cytidine	ME251642	1.02	1.00
Histamine	ME251662	1.02	1.00
Xanthine	ME251532	1.00	1.00
Orotate	ME251529	1.00	1.00
L-Proline	ME251595	1.00	1.00
Glycine	ME251628	1.00	1.00
Deoxyuridine	ME251517	1.00	1.00
Creatine	ME251607	1.00	1.00
3-Hydroxyanthranilic acid	ME251501	1.00	1.00
Alanine / D-Alanine	ME251614	1.00	1.00
O-Acetylcarnitine	ME251522	1.01	1.00
N-Acetylputrescine	ME251630	1.01	1.00
N-Acetylphenylalanine	ME251481	1.01	1.00
Hypoxanthine	ME251535	1.01	1.00
Guanidinoacetate	ME251629	1.01	1.00
Creatinine	ME251609	1.01	1.00
4-Acetamidobutanoate	ME251502	1.01	1.00
Choline	ME251599	1.01	1.00
N-Acetylglutamate	ME251519	0.93	1.01
N-Acetylaspartate	ME251523	0.93	1.01
L-Threonine / Homoserine / Allothreonine	ME251619	0.93	1.01
L-Serine	ME251637	0.93	1.01
Indole-3-Acetate	ME251484	0.93	1.01
Biopterin	ME251561	0.93	1.01
3-Amino-4-Hydroxybenzoate	ME251539	0.93	1.01
4-Imidazoleacetate	ME251601	0.93	1.01
N-Acetyltryptophan	ME251500	0.94	1.01
Galacturonate / Glucuronate	ME251578	0.94	1.01
Glycochenodeoxycholate	ME251492	0.94	1.01
3-(2-Hydroxyphenyl)Propanoate	ME251476	0.92	1.01
Cortisol	ME251487	0.92	1.02
Guanine	ME251589	0.92	1.02
Xanthurenate	ME251526	0.95	1.01
Pterin	ME251545	0.95	1.01
Adenosine	ME251565	0.95	1.01
N,N,N-Trimethyllysine	ME251657	0.95	1.01
N-Acetylserine	ME251520	0.96	1.01
Lauroylcarnitine	ME251506	0.96	1.01
Glycocholate	ME251513	0.96	1.01
6-Hydroxynicotinate	ME251514	0.96	1.01
1-Aminocyclopropanecarboxylate	ME251618	0.96	1.01
3-methylhistamine	ME251663	0.96	1.01
Riboflavin	ME251530	0.97	1.01
L-Tyrosine	ME251592	0.97	1.01
L-Aspartic Acid	ME251635	0.97	1.01
Guanidinosuccinate	ME251633	0.97	1.01
Aminocaproate	ME251591	0.97	1.01
1-Methyladenosine	ME251620	0.97	1.01
5-Hydroxyindole-3-Acetic Acid	ME251518	0.97	1.01
4-Pyridoxic acid	ME251525	0.91	1.02
D/L Glucosamine / D/L Galactosamine	ME251650	0.91	1.02
Cytosine	ME251638	0.90	1.02
Uric acid	ME251551	0.90	1.02
Methylpicolinate	ME251480	0.89	1.03
Allantoin	ME251552	0.89	1.02
S-Adenosylmethionine	ME251660	0.89	1.02
L-Arginine	ME251654	0.88	1.02
S-Carboxymethylcysteine	ME251524	0.88	1.02
Indole-3-Acetamide	ME251497	0.83	1.03
N-Acetylglycine	ME251509	0.84	1.03
Glucose	ME251573	0.84	1.03
Adenine	ME251590	0.84	1.03
Citrulline	ME251634	0.84	1.03
cis-4-hydroxy-D-proline	ME251616	0.85	1.03
L-Phenylalanine	ME251554	0.85	1.03
N-Acetylmethionine	ME251486	0.88	1.04
N-Acetylcysteine	ME251499	0.87	1.03
5-Hydroxytryptophan	ME251613	0.87	1.03
L-Glutamic Acid	ME251612	0.87	1.03
Aminoadipate	ME251605	0.86	1.03
Betaine / L-Valine/ Norvaline	ME251587	0.86	1.03
Cotinine N-oxide	ME251538	0.75	1.12
L-Tryptophanamide	ME251593	0.80	1.03
3-Hydroxybenzaldehyde	ME251579	0.79	1.04
7-Methylguanine	ME251584	0.79	1.04
Trigonelline	ME251582	0.80	1.04
Cortisone	ME251479	0.80	1.04
L-Cystine	ME251647	0.80	1.04
Nicotinic acid	ME251505	0.81	1.06
Cystathionine	ME251648	0.80	1.05
Raffinose	ME251610	0.81	1.05
Ectoine	ME251583	0.71	1.06
L-Lysine	ME251655	0.71	1.06
Anserine	ME251658	0.75	1.08
L-Leucine	ME251556	0.77	1.04
Gluconate	ME251564	0.74	1.04
3,4-Dihydroxybenzoate	ME251537	0.76	1.05
N-Acetylproline	ME251496	0.75	1.05
Maleimide	ME251498	0.72	1.21
N-Methylglutamate	ME251594	0.61	1.18
2-Hydroxypyridine	ME251508	0.63	1.12
Mevalolactone	ME251478	0.64	1.11
Cotinine	ME251543	0.51	1.24
3-(4-Hydroxyphenyl)Pyruvate / Caffeate	ME251477	0.40	1.12
Deoxyguanosine	ME251549	0.47	1.13
Methylthioadenosine	ME251540	0.47	1.10
3-Methoxytyramine	ME251576	0.52	1.40
Carnosine	ME251659	0.78	1.37
Acetaminophen	ME251493	0.38	2.04
Nicotine	ME251643	0.35	2.30
Inosine Monophosphate	ME251581	0.07	3.32
trans-3-hydroxycotinine	ME251566	0.24	2.90

Factors:

F1	Sample Type/Matrix:Pooled quality control sample
F2	Sample Type/Matrix:urine

Data matrix