Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for BALF Control vs ALI by RPLC-MS (Study ST000042)

MS positive ion mode (Analysis AN000064)

Metabolite	Structure	F1	F2
DEOXYCHOLATE	ME646685	0.01	4.97
[13C]-HISTIDINE	ME646589	0.49	2.02
2`,4`-DIHYDROXYACETOPHENONE	ME646605	0.67	2.46
CAFFEINE	ME646664	NA	1.00
QUINOLIN-2-OL	ME646815	NA	1.00
BUTYRYLCARNITINE (*)	ME646663	1.04	0.01
XANTHOSINE	ME646854	1.00	NA
XANTHINE	ME646853	1.00	NA
VITAMIN D2	ME646851	1.00	NA
URSODIOL	ME646848	1.00	NA
URIDINE	ME646846	1.00	NA
URATE (*)	ME646844	1.00	NA
TYROSINE (*)	ME646842	1.00	NA
TRYPTOPHAN BETAINE (*)	ME646839	1.00	NA
TRYPTOPHANAMIDE	ME646840	1.00	NA
TRIGONELLINE	ME646837	1.00	NA
TIGLYL CARNITINE (*)	ME646835	1.00	NA
THYMINE	ME646834	1.00	NA
THYMIDINE	ME646833	1.00	NA
THREONINE (*)	ME646832	1.00	NA
THEOPHYLLINE	ME646831	1.00	NA
TAURINE	ME646830	1.00	NA
STEAROYL SPHINGOMYELIN (*)	ME646827	1.00	NA
SPHINGOMYELIN	ME646826	1.00	NA
SPHINGANINE	ME646825	1.00	NA
S-HEXYL-GLUTATHIONE	ME646820	1.00	NA
SELENOCYSTAMINE	ME646819	1.00	NA
RIBOFLAVIN	ME646818	1.00	NA
RETINOL	ME646817	1.00	NA
PYROGLUTAMINE (*)	ME646814	1.00	NA
PYRIDOXAL	ME646813	1.00	NA
PYRIDINE CARBOXYLIC ACID	ME646812	1.00	NA
PROPIONYLCARNITINE (*)	ME646811	1.00	NA
PROMETRYN	ME646810	1.00	NA
PRO-HYDROXY-PRO (*)	ME646808	1.00	NA
POSSIBLE L-LEUCYL-L-LEUCINE	ME646805	1.00	NA
PIPERINE (*)	ME646804	1.00	NA
PHENYLACETYLGLUTAMINE (*)	ME646799	1.00	NA
PHENYLACETIC ACID	ME646798	1.00	NA
PHENETHYLAMINE	ME646797	1.00	NA
PENTOPYRANOSE	ME646796	1.00	NA
PANTOTHENIC ACID	ME646794	1.00	NA
PALMITOYL SPHINGOMYELIN (*)	ME646790	1.00	NA
PALMITOYLCARNITINE (*)	ME646791	1.00	NA
O-PHOSPHONOHEXOPYRANOSE	ME646787	1.00	NA
OLEOYLGLYCEROPHOSPHOCHOLINE (*)	ME646786	1.00	NA
OLEOYLCARNITINE (*)	ME646785	1.00	NA
OLEAMIDE	ME646784	1.00	NA
OCTANOYLCARNITINE (*)	ME646783	1.00	NA
NORMETANEPHRINE	ME646781	1.00	NA
N-OLEOYLGLYCINE	ME646780	1.00	NA
N,N,N-TRIMETHYLLYSINE	ME646763	1.00	NA
N-CYCLOHEXYLSULFAMIC ACID	ME646778	1.00	NA
N-BENZYLOXYCARBONYLGLYCINE	ME646776	1.00	NA
N-ACETYLSEROTONIN	ME646775	1.00	NA
N-ACETYLPUTRESCINE	ME646774	1.00	NA
N-ACETYL-L-PHENYLALANINE	ME646773	1.00	NA
N-ACETYL-L-CYSTEINE	ME646771	1.00	NA
N-ACETYL-L-ASPARTIC ACID	ME646770	1.00	NA
N-ACETYL-L-ALANINE	ME646769	1.00	NA
N-ACETYLGLYCINE	ME646768	1.00	NA
N-ACETYL-D-HEXOSAMINE	ME646767	1.00	NA
N6-(DELTA2-ISOPENTENYL)-ADENINE	ME646766	1.00	NA
N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*)	ME646765	1.00	NA
N1-ACETYLSPERMINE	ME646764	1.00	NA
MONO-ETHYL MALONATE	ME646761	1.00	NA
METHYL PARABEN	ME646758	1.00	NA
METHYLMALONATE	ME646760	1.00	NA
METHYL INDOLE-3-ACETATE	ME646756	1.00	NA
METHYLGLUTAROYLCARNITINE (*)	ME646759	1.00	NA
METHYL BETA-D-GALACTOSIDE	ME646755	1.00	NA
METHIONINE	ME646754	1.00	NA
MELATONIN	ME646753	1.00	NA
MALATE	ME646752	1.00	NA
LYSINE	ME646751	1.00	NA
LL-2,6-DIAMINOHEPTANEDIOATE	ME646749	1.00	NA
LEUCYLPHENYLALANINE (*)	ME646747	1.00	NA
LAUROYLCARNITINE	ME646745	1.00	NA
KYNURENINE	ME646744	1.00	NA
ISOVALERYLCARNITINE (*)	ME646743	1.00	NA
ISOLEUCINE	ME646742	1.00	NA
INDOXYL	ME646740	1.00	NA
INDOLE-3-ETHANOL	ME646739	1.00	NA
INDOLE-3-ACETIC ACID	ME646738	1.00	NA
INDOLE-3-ACETAMIDE	ME646737	1.00	NA
INDOLE-3-ACETALDEHYDE	ME646736	1.00	NA
HYDROXYPHENYLACETIC / MANDELIC ACID	ME646734	1.00	NA
HOMOSTACHYDRINE (*)	ME646732	1.00	NA
HOMOSERINE	ME646731	1.00	NA
HISTIDINE	ME646729	1.00	NA
HIPPURATE	ME646728	1.00	NA
HEXURONIC ACID	ME646727	1.00	NA
HEXOSE (*)	ME646726	1.00	NA
HEXITOL	ME646724	1.00	NA
GUANINE	ME646722	1.00	NA
GLYCEROPHOSPHOCHOLINE (*)	ME646720	1.00	NA
GLUTAMINE	ME646718	1.00	NA
GLUTAMIC ACID	ME646717	1.00	NA
GAMMA-GLUTAMYLTYROSINE (*)	ME646716	1.00	NA
GAMMA-GLUTAMYLPHENYLALANINE (*)	ME646715	1.00	NA
ETHYL 3-INDOLE ACETATE	ME646711	1.00	NA
ESTRONE	ME646710	1.00	NA
EDTA	ME646705	1.00	NA
DOPAMINE	ME646704	1.00	NA
DI-TERT-BUTYL DICARBONATE	ME646701	1.00	NA
DIPALMITOYLGLYCEROL (*)	ME646700	1.00	NA
DIOLEOYLPHOSPHATIDYLCHOLINE	ME646699	1.00	NA
DIMETHYLXANTHINE (*)	ME646698	1.00	NA
DIMETHYL MALEATE	ME646695	1.00	NA
DIMETHYLBENZIMIDAZOLE	ME646697	1.00	NA
DIMETHYLARGININE (*)	ME646696	1.00	NA
DIACYL-PHOSPHATIDYLCHOLINE	ME646690	1.00	NA
DEOXYURIDINE	ME646688	1.00	NA
DECANOYLCARNITINE (*)	ME646684	1.00	NA
CYSTINE	ME646683	1.00	NA
CREATININE FROM COMPLEX	ME646680	1.00	NA
COTININE (*)	ME646677	1.00	NA
CORTISOL 21-ACETATE	ME646675	1.00	NA
CORTICOSTERONE	ME646673	1.00	NA
CITRULLINE	ME646672	1.00	NA
CITRATE	ME646671	1.00	NA
CITRAMALATE	ME646670	1.00	NA
CIS-7,10,13,16-DOCOSATETRAENOIC ACID	ME646669	1.00	NA
CINNAMOYLGLYCINE (*)	ME646668	1.00	NA
CHOLESTA-5,7-DIEN-3BETA-OL	ME646666	1.00	NA
C-GLYCOSYLTRYPTOPHAN (*)	ME646665	1.00	NA
BRADYKININ HYDROXY-PRO(3) (*)	ME646662	1.00	NA
BOC-HIS-OH	ME646659	1.00	NA
BOC-GLY-OH	ME646658	1.00	NA
BENZENEDICARBOXYLIC ACID	ME646650	1.00	NA
ASCORBATE	ME646646	1.00	NA
AMINOHYDROXYBUTANOIC ACID	ME646642	1.00	NA
ALANINE	ME646640	1.00	NA
ADENINE	ME646638	1.00	NA
5-VALEROLACTONE	ME646637	1.00	NA
5-OXO-PROLINE	ME646636	1.00	NA
5-HYDROXYPENTANOIC ACID	ME646635	1.00	NA
5-HYDROXYINDOLE-3-ACETIC ACID	ME646634	1.00	NA
5-AMINOLEVULINIC ACID	ME646633	1.00	NA
4-NITROCATECHOL	ME646632	1.00	NA
4-METHYLCATECHOL	ME646631	1.00	NA
4-GUANIDINOBUTANOIC ACID	ME646629	1.00	NA
3-UREIDOPROPIONIC ACID	ME646626	1.00	NA
3-SULFINO-L-ALANINE	ME646625	1.00	NA
3-METHYLADENINE	ME646624	1.00	NA
3-HYDROXYBENZYL ALCOHOL	ME646623	1.00	NA
3-(CYSTEIN-S-YL)ACETAMINOPHEN (*)	ME646614	1.00	NA
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE	ME646621	1.00	NA
3-ALPHA,11-BETA,17-ALPHA,21-TETRAHYDROXY- 5-ALPHA-PREGNAN-20-ONE	ME646619	1.00	NA
3,5-DIIODO-L-TYROSINE	ME646618	1.00	NA
3,5-DIIODO-L-THYRONINE	ME646617	1.00	NA
3,4-DIHYDROXYPHENYLACETATE	ME646616	1.00	NA
3-(2-HYDROXYPHENYL)PROPANOATE	ME646613	1.00	NA
2-METHYLMALEATE	ME646612	1.00	NA
2-HYDROXYBUTYRIC ACID	ME646609	1.00	NA
2-DEOXY-GLUCOSE / 6-DEOXY-GALACTOSE	ME646608	1.00	NA
2-DEOXY-D-GLUCOSE	ME646607	1.00	NA
2,6-DIHYDROXYPYRIDINE	ME646604	1.00	NA
17ALPHA-HYDROXYPROGESTERONE	ME646602	1.00	NA
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONE	ME646600	1.00	NA
[13C]-ASPARTIC ACID	ME646587	1.00	NA
CREATININE	ME646679	1.09	0.13
TYROSINE	ME646841	1.09	0.17
CREATINE	ME646678	1.09	0.15
TRYPTOPHAN	ME646838	1.08	0.16
LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)	ME646748	1.09	0.01
DOCOSAHEXAENOYLGLYCEROPHOSPHOETHANOLAMINE (*)	ME646703	1.11	0.02
HYPOXANTHINE	ME646735	1.10	0.04
EPINEPHRINE	ME646707	1.05	0.07
URATE	ME646843	1.05	0.07
PROLINE	ME646809	1.10	0.08
HEXOSE	ME646725	1.10	0.09
O-ACETYL-L-CARNITINE	ME646782	1.10	0.09
BILIVERDIN	ME646651	1.05	0.57
NICOTINAMIDE	ME646779	1.04	0.58
UROCANATE	ME646847	1.05	0.63
ASPARAGINE	ME646647	1.04	0.65
GLYCOCHOLATE	ME646721	1.03	0.65
PIPECOLIC ACID	ME646803	1.04	0.43
PHENYLALANINE	ME646800	1.06	0.41
VALINE	ME646849	1.06	0.39
INOSINE	ME646741	1.05	0.49
PREGNENOLONE	ME646806	1.05	0.47
DEOXYCORTICOSTERONE	ME646686	1.04	0.53
DIHEXOSE	ME646692	1.03	0.54
BOC-LYS-OH	ME646660	1.02	0.50
VALINE (*)	ME646850	1.04	0.51
1-OLEOYL-RAC-GLYCEROL	ME646603	1.19	0.43
DIETHYL 2-METHYL-3-OXOSUCCINATE	ME646691	1.06	0.33
DEOXYRIBOSE	ME646687	1.08	0.31
4-AMINOBENZOATE	ME646627	1.08	0.32
GUANOSINE	ME646723	1.08	0.32
LEUCINE	ME646746	1.08	0.24
UREA	ME646845	1.04	0.27
4-COUMARATE	ME646628	1.08	0.84
DOCOSAHEXAENOIC ACID	ME646702	1.10	0.81
3ALPHA-HYDROXY-5BETA-CHOLANATE	ME646620	1.07	0.79
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (POSSIBLY)	ME646694	1.09	0.78
BIS(2-ETHYLHEXYL)PHTHALATE	ME646653	1.02	0.81
[13C]-THREONINE	ME646595	1.02	0.77
ANTHRANILATE	ME646643	1.03	0.78
SPERMINE	ME646824	1.03	0.78
[13C]-GLUTAMATE	ME646588	1.02	0.79
PALMITOLEOYLGLYCEROPHOSPHOCHOLINE (*)	ME646789	1.02	0.78
ORNITHINE	ME646788	1.04	0.69
2`-DEOXYGUANOSINE	ME646606	1.06	0.73
ARACHIDONOYLGLYCEROPHOSPHOCHOLINE (*)	ME646644	1.05	0.72
2-METHYLGLUTARIC ACID	ME646611	1.03	0.75
VITAMIN D3	ME646852	1.03	0.75
ARG-VAL-TRP	ME646645	1.03	0.74
CORTISOL	ME646674	1.03	0.74
DIHYDROXYBENZOIC ACID	ME646693	1.02	0.72
SHIKIMATE	ME646821	1.03	0.72
PENTITOL	ME646795	1.03	0.73
SUBERIC ACID	ME646829	1.02	0.73
CORTISONE	ME646676	0.96	1.18
2-HYDROXYPHENYLACETIC ACID	ME646610	0.97	1.21
BIOTIN	ME646652	0.98	1.19
BOC-ASP-OH	ME646657	0.99	1.13
SPERMIDINE	ME646823	0.99	1.11
N-CYCLOHEXYLFORMAMIDE	ME646777	0.99	1.10
BOC-ALA (+NA)	ME646654	0.99	1.10
BOC-ALA-OH	ME646655	0.99	1.10
3,4-DIHYDROXYBENZOATE	ME646615	0.98	1.16
ASPARTATE	ME646648	0.96	1.13
ETHYL 4-OXOCYCLOHEXANECARBOXYLATE	ME646712	1.01	0.88
MONO-METHYL GLUTARATE	ME646762	1.02	0.86
PANTOLACTONE	ME646793	1.01	0.93
RETINAL	ME646816	1.02	0.90
METHYL JASMONATE	ME646757	1.01	0.91
[13C]-LYSINE	ME646591	1.01	0.90
BOC-PHE-OH	ME646661	1.01	0.90
ERYTHRITOL	ME646708	1.04	0.89
HISTIDINE (*)	ME646730	1.04	0.92
[13C]-VALINE	ME646597	1.00	0.97
12-HYDROXY-DODECANOIC ACID	ME646601	1.01	0.97
PALMITOYLGLYCEROPHOSPHOCHOLINE (*)	ME646792	1.01	0.97
[13C]-LEUCINE	ME646590	1.01	0.95
STEAROYLGLYCEROPHOSPHOCHOLINE (*)	ME646828	1.01	0.96
PHTHALATE	ME646801	0.99	1.07
3-HYDROXYANTHRANILATE	ME646622	0.99	1.05
CINNAMOYLGLYCINE (*)	ME646667	0.99	1.05
TRANS-CYCLOHEXANE-1,2-DIOL	ME646836	1.00	1.02
FERULATE	ME646714	1.00	1.03
BOC-ASN	ME646656	1.00	1.03
[13C]-PROLINE	ME646594	1.00	1.03
[13C]-TYROSINE	ME646596	1.00	1.03
ALPHA-LIPOAMIDE	ME646641	1.00	0.99
10-HYDROXYDECANOATE	ME646599	1.00	1.00
[13C]-PHENYLALANINE	ME646593	1.00	1.00
GLUTATHIONE	ME646719	1.00	1.01
ETHYLMALONIC ACID	ME646713	1.00	1.01
1,2-DIPALMITOYL-SN-GLYCEROL	ME646598	1.00	1.01
[13C]-METHIONINE	ME646592	1.00	1.01
ESTRADIOL 17 ALPHA	ME646709	0.58	1.42
CYCLOHEX-1-ENECARBOXYLIC ACID	ME646681	0.95	1.32
EDTA (*)	ME646706	0.99	1.30
PIMELIC ACID	ME646802	0.97	1.29
DETHIOBIOTIN	ME646689	0.93	1.40
AZELAIC ACID	ME646649	0.97	1.40
[13C]-ARGININE	ME646586	0.96	1.38
CYCLOHEXANE-1,3-DIONE	ME646682	0.97	1.37
LUMICHROME	ME646750	0.93	1.78
PROGESTERONE	ME646807	0.95	1.67
SORBIC ACID	ME646822	0.95	1.72
4-METHYL-2-OXOPENTANOATE	ME646630	0.94	1.57
N-ACETYL-L-LEUCINE	ME646772	0.80	1.49
ADENOSINE	ME646639	0.79	1.62
HOMOVANILLATE	ME646733	0.84	1.56

Factors:

F1	Condition:Acute lung injury
F2	Condition:Healthy

Data matrix