Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Heatshock response of C. elegans using IROA (I) (Study ST000040)

MS positive ion mode (Analysis AN000060)

Metabolite	Structure	F1	F2	F3	F4
Citrulline	ME645587	1.97	4.37	0.20	0.72
L-Aspartic acid	ME645658	0.75	2.13	0.11	1.00
L-Threonine	ME645675	0.95	2.94	0.02	0.09
1-Pyrroline-2-carboxylic acid	ME645503	1.61	0.78	0.09	0.32
(±)-2-Methylthiazolidine	ME645487	1.52	0.94	0.08	0.07
Cinitapride	ME645581	1.50	0.50	NA	NA
Penbutolol	ME645743	1.53	0.47	NA	NA
D-Erythrose 4-phosphate	ME645599	1.34	0.66	NA	NA
1-Pyrroline	ME645502	1.33	0.67	NA	NA
3-Hydroxy-2-methyl-[R-(R,S)]-butanoic acid	ME645526	1.33	0.67	NA	NA
Butyrylcarnitine	ME645577	1.25	0.75	NA	NA
LysoPE(0:0/14:0)	ME645691	1.26	0.74	NA	NA
10-Formyltetrahydrofolate	ME645495	1.26	0.74	NA	NA
2-Octenoylcarnitine	ME645516	1.26	0.74	NA	NA
Hydroxybutyrylcarnitine	ME645641	1.21	0.79	NA	NA
LysoPE(0:0/14:1(9Z))	ME645692	1.23	0.77	NA	NA
8-Hydroxyguanine	ME645554	1.20	1.22	0.07	0.26
Asparaginyl-Glutamate	ME645573	1.24	1.37	0.06	0.08
Ornithine	ME645735	1.37	1.11	0.01	0.05
Phenylpyruvic acid	ME645746	1.37	1.12	0.00	0.00
N6,N6,N6-Trimethyl-L-lysine	ME645711	1.27	1.19	0.04	0.10
Acetylisoniazid	ME645555	1.22	1.27	0.02	0.01
Guanine	ME645631	1.29	1.21	0.00	0.00
Inosine	ME645648	1.29	1.21	0.00	0.00
Niacinamide	ME645727	1.41	1.36	0.09	0.36
2-Keto-6-acetamidocaproate	ME645513	1.56	1.25	0.19	0.18
N-Acetylcystathionine	ME645714	1.67	1.22	0.12	0.09
2-Pyrrolidinone	ME645519	0.70	1.30	NA	NA
LysoPC(18:0)	ME645684	0.71	1.29	NA	NA
Herculin	ME645635	0.68	1.32	NA	NA
Citric acid	ME645586	0.67	1.33	NA	NA
Itaconic acid	ME645652	0.67	1.33	NA	NA
Pramipexole	ME645753	0.55	1.45	NA	NA
2-Undecyl-4(1H)-quinolinone	ME645520	0.62	1.38	NA	NA
L-Coprine	ME645660	0.61	1.39	NA	NA
3-Hydroxyanthranilic acid	ME645527	0.96	1.04	NA	NA
Pirbuterol	ME645751	0.96	1.04	NA	NA
LysoPE(0:0/20:1(11Z))	ME645697	0.95	1.05	NA	NA
LysoPC(18:2(9Z,12Z))	ME645686	0.95	1.05	NA	NA
LysoPC(15:0)	ME645682	0.95	1.05	NA	NA
5^-Methylthioadenosine	ME645550	0.95	1.05	NA	NA
L-Kynurenine	ME645666	0.95	1.05	NA	NA
Pentobarbital	ME645744	0.92	1.08	NA	NA
Dihydro-4-mercapto-3(2H)-furanone	ME645605	0.92	1.08	NA	NA
LysoPC(20:3(5Z,8Z,11Z))	ME645689	0.92	1.08	NA	NA
1,2-Dihydroxy-3-keto-5-methylthiopentene	ME645493	0.93	1.07	NA	NA
Biotin	ME645576	0.93	1.07	NA	NA
icas16	ME645645	0.94	1.06	NA	NA
LysoPC(17:0)	ME645683	0.94	1.06	NA	NA
1,7-Dimethylguanosine	ME645494	0.91	1.09	NA	NA
Pyridine N-oxide glucuronide	ME645760	0.91	1.09	NA	NA
N-(1-Deoxy-1-fructosyl)phenylalanine	ME645704	0.90	1.10	NA	NA
1H-Indole-3-carboxaldehyde	ME645498	0.90	1.10	NA	NA
6-Acetyl-1,2,3,4-tetrahydropyridine	ME645551	0.90	1.10	NA	NA
ascr1	ME645570	0.89	1.11	NA	NA
Dodecanoylcarnitine	ME645612	0.89	1.11	NA	NA
Prolylhydroxyproline	ME645755	0.88	1.12	NA	NA
Glutaminyl-Phenylalanine	ME645624	0.88	1.12	NA	NA
beta-D-Glucopyranosyl anthranilate	ME645575	0.88	1.12	NA	NA
Ascorbic acid	ME645569	0.88	1.12	NA	NA
1-Methylinosine	ME645501	0.88	1.12	NA	NA
2-Aminonaphthalene	ME645507	0.88	1.12	NA	NA
p-Cresol glucuronide	ME645741	0.87	1.13	NA	NA
N6-Carbamoyl-L-threonyladenosine	ME645712	0.87	1.13	NA	NA
5-Hydroxyindoleacetic acid	ME645544	0.87	1.13	NA	NA
LysoPC(20:1(11Z))	ME645687	0.87	1.13	NA	NA
Ergothioneine	ME645614	0.74	1.26	NA	NA
Pteroside B	ME645758	0.75	1.25	NA	NA
LysoPC(14:1(9Z))	ME645681	0.76	1.24	NA	NA
Pyridoxal 5^-phosphate	ME645762	0.76	1.24	NA	NA
1-Cyano-2-hydroxy-3-butene	ME645497	0.77	1.23	NA	NA
LysoPE(0:0/16:1(9Z))	ME645694	0.77	1.23	NA	NA
4-Hydroxyphenylacetylglutamine	ME645539	0.78	1.22	NA	NA
Arachidonic acid	ME645568	0.78	1.22	NA	NA
Hexanoylcarnitine	ME645636	0.86	1.14	NA	NA
2-Keto-glutaramic acid	ME645514	0.86	1.14	NA	NA
Cytidine monophosphate	ME645594	0.86	1.14	NA	NA
Pantetheine	ME645739	0.84	1.16	NA	NA
Ethyl tiglate	ME645615	0.84	1.16	NA	NA
2-Benzoxazolol	ME645508	0.84	1.16	NA	NA
Dimethyl fukiic acid	ME645608	0.84	1.16	NA	NA
5-L-Glutamyl-L-alanine	ME645547	0.85	1.15	NA	NA
Histidinyl-Tryptophan	ME645639	0.85	1.15	NA	NA
LysoPC(20:4(5Z,8Z,11Z,14Z))	ME645690	0.79	1.21	NA	NA
Mevalonic acid-5P	ME645703	0.80	1.20	NA	NA
LysoPC(18:1(9Z))	ME645685	0.83	1.17	NA	NA
5-Methylcytidine	ME645548	0.83	1.17	NA	NA
Glutaric acid	ME645625	0.83	1.17	NA	NA
LysoPE(0:0/18:1(11Z))	ME645695	0.82	1.18	NA	NA
LysoPE(0:0/16:0)	ME645693	0.82	1.18	NA	NA
Allocystathionine	ME645564	0.82	1.18	NA	NA
Genipin	ME645621	0.82	1.18	NA	NA
Citicoline	ME645584	0.81	1.19	NA	NA
Lotaustralin	ME645672	0.81	1.19	NA	NA
(-)-erythro-Anethole glycol 1-glucoside	ME645485	1.17	0.83	NA	NA
Niazimin A	ME645728	1.15	0.85	NA	NA
Putrescine	ME645759	1.10	0.90	NA	NA
Hawkinsin	ME645633	1.12	0.88	NA	NA
Linoleoyl ethanolamide	ME645665	1.13	0.87	NA	NA
5-Hydroxyisourate	ME645545	1.06	0.94	NA	NA
N1-Acetylspermidine	ME645708	1.06	0.94	NA	NA
N-Acetylglutamine	ME645717	1.07	0.93	NA	NA
Isoleucyl-Valine	ME645651	1.07	0.93	NA	NA
LysoPC(20:2(11Z,14Z))	ME645688	1.07	0.93	NA	NA
Palmitoleoyl Ethanolamide	ME645738	1.05	0.95	NA	NA
Ophthalmic acid	ME645734	1.05	0.95	NA	NA
2-Phenylacetamide	ME645518	1.05	0.95	NA	NA
Indole	ME645646	1.05	0.95	NA	NA
Glutathione	ME645626	1.04	0.96	NA	NA
N-Methylcalystegine C1	ME645732	1.04	0.96	NA	NA
Oxitriptan	ME645736	0.97	1.03	NA	NA
L-Histidine	ME645664	0.97	1.03	NA	NA
LysoPE(0:0/22:1(13Z))	ME645699	0.97	1.03	NA	NA
Diacetoxyscirpenol	ME645601	0.99	1.01	NA	NA
LysoPE(0:0/20:5(5Z,8Z,11Z,14Z,17Z))	ME645698	0.99	1.01	NA	NA
Histamine	ME645638	0.98	1.02	NA	NA
Eicosapentaenoyl Ethanolamide	ME645613	0.98	1.02	NA	NA
Glycyl-L-leucine	ME645629	0.98	1.02	NA	NA
Inositol cyclic phosphate	ME645649	1.01	0.99	NA	NA
2-Furanmethanethiol	ME645510	1.01	0.99	NA	NA
Cysteinylglycine	ME645591	1.01	0.99	NA	NA
Nicotinamide ribotide	ME645729	1.00	1.00	NA	NA
LysoPE(0:0/18:2(9Z,12Z))	ME645696	1.00	1.00	NA	NA
Diethylphosphate	ME645604	1.00	1.00	NA	NA
4-Hydroxybutyric acid	ME645538	1.00	1.00	NA	NA
Cascarillin	ME645580	1.00	1.00	NA	NA
Benzoic acid	ME645574	1.02	0.98	NA	NA
LysoPC(14:0)	ME645680	1.02	0.98	NA	NA
L-L-Homoglutathione	ME645668	1.03	0.97	NA	NA
cis-4-Carboxymethylenebut-2-en-4-olide	ME645582	1.03	0.97	NA	NA
Coumarin	ME645588	1.03	0.97	NA	NA
Pyroglutamic acid	ME645763	NA	1.98	NA	0.02
Diacetyl	ME645602	0.38	1.62	NA	NA
N-(1-Deoxy-1-fructosyl)tryptophan	ME645705	0.32	1.68	NA	NA
N-Isobutyl-2,4,8,10,12-tetradecapentaenamide	ME645731	0.31	1.69	NA	NA
2-Oxoarginine	ME645517	0.74	1.59	0.28	0.39
3-Dehydroxycarnitine	ME645525	0.93	2.03	0.04	0.04
Gamma-Aminobutyric acid	ME645620	1.20	1.79	0.00	0.01
3-Methyladenine	ME645531	1.33	1.32	0.80	0.55
8-Hydroxy-7-methylguanine	ME645553	1.34	1.30	0.67	0.69
3-Methylguanine	ME645532	1.52	1.22	0.79	0.47
4a-Carbinolamine tetrahydrobiopterin	ME645533	1.59	1.41	0.89	0.44
L-Thyronine	ME645676	1.64	0.91	0.46	0.44
Phaseolic acid	ME645745	1.26	1.14	0.27	0.54
Adenosine	ME645557	1.43	1.39	0.28	0.91
L-Lysine	ME645669	1.20	1.56	0.18	1.05
Cytosine	ME645595	1.09	1.88	0.55	0.49
Hypoxanthine	ME645644	1.32	1.68	0.30	0.70
Dimethyl-L-arginine	ME645610	1.46	1.56	0.52	0.47
N-a-Acetyl-L-arginine	ME645713	1.51	1.82	0.34	0.33
N-gamma-L-Glutamyl-L-methionine	ME645726	1.43	1.77	0.41	0.39
L-Acetylcarnitine	ME645654	2.27	1.31	0.20	0.21
L-Tyrosine	ME645678	2.32	1.63	0.02	0.03
L-Methionine	ME645671	2.33	1.52	0.08	0.08
L-Proline	ME645674	2.41	1.50	0.03	0.07
2-Methylbutyroylcarnitine	ME645515	2.18	1.73	0.05	0.05
3-Methyl sulfolene	ME645530	2.21	1.58	0.11	0.10
L-Arginine	ME645655	1.54	2.40	0.02	0.04
L-Valine	ME645679	1.67	2.27	0.01	0.05
Propionylcarnitine	ME645756	1.68	2.31	0.00	0.01
L-Glutamine	ME645663	1.37	2.45	0.08	0.11
N-Carbamoylputrescine	ME645723	1.30	2.19	0.00	0.01
Guanosine	ME645632	1.88	1.37	0.29	0.45
Deoxyribose 1-phosphate	ME645598	1.79	1.51	0.09	0.19
Dipropyl disulfide	ME645611	1.85	1.66	0.14	0.34
Pantothenic acid	ME645740	1.71	1.62	0.31	0.36
Glycerylphosphorylethanolamine	ME645628	1.85	1.82	0.13	0.20
L-Acetopine	ME645653	1.77	1.83	0.21	0.20
N2-Succinyl-L-ornithine	ME645710	1.80	1.87	0.16	0.16
L-Phenylalanine	ME645673	2.04	1.92	0.02	0.03
N-Acetylhistidine	ME645718	2.04	1.82	0.08	0.06
Glycerophosphocholine	ME645627	1.75	2.09	0.03	0.13
Adenine	ME645556	1.84	2.07	0.01	0.08
Nicotinic acid	ME645730	1.81	2.08	0.03	0.07
(x)-1,2-Propanediol 1-O-b-D-glucopyranoside	ME645491	1.92	1.99	0.04	0.05
Adenosine monophosphate	ME645558	1.89	1.94	0.01	0.17
L-Carnitine	ME645659	1.89	1.95	0.03	0.12
L-Leucine	ME645667	1.63	1.77	0.01	0.12
3-Amino-2-piperidone	ME645523	1.57	1.93	0.00	0.00
L-Glutamic acid	ME645662	1.48	1.83	0.01	0.03
(+)-2,3-Dihydro-3-methyl-1H-pyrrole	ME645486	1.50	2.06	0.07	0.38
Pipecolic acid	ME645749	1.50	1.98	0.07	0.45
Indoleacrylic acid	ME645647	1.57	1.86	0.18	0.40
L-Tryptophan	ME645677	1.67	1.78	0.19	0.36
1-Aminocyclopropanecarboxylic acid	ME645496	1.69	2.01	0.06	0.24
Alanyl-Isoleucine	ME645560	1.58	1.97	0.20	0.25
(-)-1-Methylpropyl 1-propenyl disulfide	ME645484	1.02	NA	0.98	NA
3-Hydroxydodecanedioic acid	ME645528	2.12	0.57	0.72	0.60
Hydroxyvalerylcarnitine	ME645643	2.03	0.43	0.06	0.10
Oxoglutaric acid	ME645737	0.77	1.03	0.54	2.07
5-Aminolevulinic acid	ME645540	0.22	0.31	0.40	3.08
Cadaverine	ME645578	0.50	0.51	0.56	2.76
4-Guanidinobutanoic acid	ME645536	0.52	0.87	1.06	1.55
Glycylproline	ME645630	0.49	0.71	0.97	1.82
Proline betaine	ME645754	0.34	0.57	1.10	1.72
5-Aminopentanal	ME645541	0.18	0.37	1.10	1.63
Allantoin	ME645563	0.52	0.51	1.37	1.60
D-Glucose	ME645600	0.40	0.38	1.27	1.64
3,3^-Thiobispropanoic acid	ME645521	0.51	0.95	1.36	1.18
Cyclohexanone	ME645590	0.98	0.52	1.24	1.27
3,4-Methylenedioxyamphetamine	ME645522	0.71	0.65	1.26	1.22
Levetiracetam	ME645661	0.67	0.52	1.46	1.35
2-Hydroxyadipic acid	ME645511	0.66	0.38	1.75	1.21
Citramalic acid	ME645585	0.48	0.61	1.99	0.92
N-Acetyl-D-glucosamine	ME645715	0.12	0.05	2.20	1.17
Formiminoglutamic acid	ME645616	0.36	0.59	1.60	1.45
N-Acetylornithine	ME645721	0.19	0.20	1.67	1.54
Norfuraneol	ME645733	0.10	0.16	1.82	1.48
Allantoic acid	ME645562	0.37	0.35	1.72	1.56
2-Aminomuconic acid	ME645506	0.18	0.27	1.80	1.75
ascr6	ME645572	0.27	0.23	1.80	1.70
Agmatine	ME645559	0.01	0.01	0.59	1.91
L-Aspartate-semialdehyde	ME645657	NA	NA	0.52	1.48
2-Hydroxyfelbamate	ME645512	NA	NA	0.41	1.59
Piperidine	ME645750	NA	NA	0.30	1.70
Phosphodimethylethanolamine	ME645748	0.44	0.15	1.35	1.00
Glucosamine	ME645623	0.22	0.15	1.46	1.35
N-Acetyl-L-aspartic acid	ME645719	0.13	0.20	1.46	1.38
5-Hydroxytryptophol	ME645546	0.10	0.06	1.25	1.21
N2-Succinoylarginine	ME645709	0.06	0.06	1.05	1.42
(S)-4-Hydroxymandelonitrile	ME645490	NA	NA	0.79	1.21
Cyclic AMP	ME645589	NA	NA	0.79	1.21
D-Alanyl-D-alanine	ME645596	NA	NA	0.79	1.21
4-Aminobutyraldehyde	ME645535	NA	NA	0.75	1.25
Dihydrothymine	ME645606	NA	NA	0.76	1.24
Cytidine	ME645592	NA	NA	0.63	1.37
Gamma Glutamylglutamic acid	ME645619	NA	NA	0.72	1.28
N-(3-Methylbutyl)acetamide	ME645707	NA	NA	0.67	1.33
Neurine	ME645724	NA	NA	0.68	1.32
Gluconic acid	ME645622	NA	NA	0.91	1.09
1-Methylhistidine	ME645500	NA	NA	0.92	1.08
N^-Formylkynurenine	ME645725	NA	NA	0.92	1.08
Carglumic acid	ME645579	NA	NA	0.83	1.17
Cytidine 2^,3^-cyclic phosphate	ME645593	NA	NA	0.88	1.12
Pyridoxal	ME645761	NA	NA	0.87	1.13
Deoxyadenosine	ME645597	NA	NA	0.87	1.13
Galactosylglycerol	ME645618	NA	NA	0.87	1.13
3-Hydroxysebacic acid	ME645529	NA	NA	1.03	0.97
N-(1-Deoxy-1-fructosyl)tyrosine	ME645706	NA	NA	1.05	0.95
Allysine	ME645565	NA	NA	1.00	1.00
(S)-2,3,4,5-tetrahydropyridine-2-carboxylate	ME645489	NA	NA	0.97	1.03
L-Asparagine	ME645656	NA	NA	1.58	0.42
2,6 Dimethylheptanoyl carnitine	ME645504	NA	NA	1.46	0.54
Dimethylethanolamine	ME645609	NA	NA	1.47	0.53
Pectic acid	ME645742	NA	NA	1.26	0.74
Alpha-N-Phenylacetyl-L-glutamine	ME645566	NA	NA	1.29	0.71
N-Acetyl-L-methionine	ME645720	NA	NA	1.32	0.68
Maleic acid homopolymer	ME645700	NA	NA	1.22	0.78
1,2,3-Trihydroxybenzene	ME645492	NA	NA	1.18	0.82
3-Dehydrocarnitine	ME645524	NA	NA	1.19	0.81
5-Methylcytosine	ME645549	NA	NA	1.08	0.92
Phlorin	ME645747	NA	NA	1.11	0.89
Hydroxyprolyl-Valine	ME645642	NA	NA	1.12	0.88
2-Aminobenzoic acid	ME645505	NA	NA	1.12	0.88
Fructose 6-phosphate	ME645617	NA	NA	1.12	0.88
Dihydrouracil	ME645607	0.81	1.04	1.72	0.44
Methionine sulfoximine	ME645701	0.44	1.63	0.56	1.37
5-Hydroxy-2-furoic acid	ME645543	0.80	1.41	0.34	1.38
cis-Aconitic acid	ME645583	0.69	1.43	0.38	1.26
L-Malic acid	ME645670	0.78	1.17	0.71	1.38
N-Acetylserotonin	ME645722	0.99	1.35	0.48	1.19
Diaminopimelic acid	ME645603	0.94	1.27	0.62	1.17
Homo-L-arginine	ME645640	1.00	1.20	0.63	1.17
Heptanoylcarnitine	ME645634	1.39	0.69	1.42	0.50
(2R)-2-Hydroxy-2-methylbutanenitrile	ME645488	1.11	0.53	1.51	0.85
5-Aminopentanamide	ME645542	1.26	0.66	1.27	0.81
Hexyl glucoside	ME645637	1.27	1.01	0.66	0.78
Pterin	ME645757	1.18	1.19	0.72	0.91
Methionyl-Serine	ME645702	0.78	1.09	1.02	1.12
Isoleucyl-Tyrosine	ME645650	1.10	1.10	0.91	0.89
Alanyl-Proline	ME645561	1.06	1.13	0.84	1.06
N-Acetylglutamic acid	ME645716	1.00	1.08	0.94	1.04
4-Amino-1-piperidinecarboxylic acid	ME645534	1.02	0.85	0.88	1.32
ascr4	ME645571	1.03	0.66	0.97	1.33
1-Methylguanosine	ME645499	0.87	1.00	1.33	0.80
4-Hydroxy-2-butenoic acid gamma-lactone	ME645537	1.11	0.81	1.12	0.96
Porphobilinogen	ME645752	1.03	0.93	1.10	0.95
2-Furancarboxaldehyde	ME645509	1.03	0.75	1.22	1.01
7-Aminomethyl-7-carbaguanine	ME645552	0.94	0.83	1.17	1.07
Aminoadipic acid	ME645567	0.89	0.79	1.15	1.17

Factors:

F1	Heat shock:control \| Metabolome:endometabolome
F2	Heat shock:control \| Metabolome:exometabolome
F3	Heat shock:heat shock \| Metabolome:endometabolome
F4	Heat shock:heat shock \| Metabolome:exometabolome

Data matrix