Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Crab Urine Study (Study ST000922)

HILIC POSITIVE ION MODE (Analysis AN001511)

Metabolite	Structure	F1	F2
N,N-Diethyl-4-methyl-1-piperazinecarboxamide 4-oxide_R2	ME232801	1.08	0.92
Aceclidine	ME232704	1.08	0.92
2_2^-Iminodipropanoate	ME232659	1.08	0.92
7-Aminomethyl-7-deazaguanine	ME232695	1.08	0.92
Acetyl-beta-methylcholine	ME232707	1.09	0.91
PEG n5_R1	ME232824	1.09	0.91
tranexamic acid_R1	ME232848	1.12	0.88
gamma-Glutamylleucine	ME232759	1.12	0.88
3-Dehydrocarnitine_R2	ME232673	1.12	0.88
4,4-Dimethyl-5-(methylcarbamoyloxyimino)valeronitrile	ME232680	1.12	0.88
tyramine sulfate_R2	ME232858	1.13	0.87
3-Dehydrocarnitine_R3	ME232674	1.13	0.87
L-Alanyl-L-proline	ME232779	1.13	0.87
N-alpha-L-Acetyl-arginine	ME232806	1.10	0.90
2-Amino-4-[(4-aminobutyl)amino]butanoic acid	ME232662	1.10	0.90
Leucine_R1	ME232780	1.10	0.90
L(-)-Carnitine	ME232778	1.11	0.89
g-Aminobutyryl-lysine	ME232757	1.11	0.89
3-Dehydrocarnitine_R4	ME232675	1.11	0.89
DL-Stachydrine_R2	ME232748	1.11	0.89
Arecoline	ME232717	0.97	1.03
D-Phenylalanine	ME232749	0.98	1.02
Trigonelline_R2	ME232853	0.98	1.02
DL-Carnitine_R3	ME232746	1.01	0.99
Taurine	ME232845	1.01	0.99
Hypoxanthine_R1	ME232770	0.99	1.01
DL-Carnitine_R2	ME232745	0.99	1.01
1,4-Dimethylimidazole	ME232652	0.99	1.01
Acetylcholine_R3	ME232710	0.99	1.01
Trigonelline_R1	ME232852	1.00	1.00
Pregabalin_R1	ME232834	1.00	1.00
Benzimidazole	ME232721	1.00	1.00
Paracetamol_R2	ME232821	1.00	1.00
Nicotinamide	ME232812	1.03	0.97
Ectoine	ME232750	1.03	0.97
deoxyhypusine	ME232739	1.03	0.97
3-Guanidinopropanoate	ME232676	1.03	0.97
Anhydroecgonine methyl ester	ME232716	1.03	0.97
Zalcitabine	ME232875	1.05	0.95
tybamate	ME232855	1.05	0.95
tranexamic acid_R2	ME232849	1.05	0.95
methyprylon_R3	ME232794	1.05	0.95
DL-Stachydrine_R1	ME232747	1.05	0.95
4-(Nitrosoamino)-1-(3-pyridinyl)-1-butanol	ME232679	1.05	0.95
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate_R2	ME232636	1.05	0.95
4-Methylene-L-glutamine	ME232689	1.05	0.95
(2S)-2-Amino-8-hydroxyoctanoic acid_R2	ME232638	1.07	0.93
N,N-Diethyl-4-methyl-1-piperazinecarboxamide 4-oxide_R1	ME232800	1.07	0.93
Cholinesulfate_R1	ME232730	1.06	0.94
gamma-L-Glutamylputrescine_R2	ME232761	1.06	0.94
Tetrahydro-2-thiophenylacetic acid	ME232847	1.14	0.86
formyl-isoglutamine	ME232754	1.15	0.85
tetrahomomethionine	ME232846	1.15	0.85
(2S)-2-Amino-8-hydroxyoctanoic acid_R3	ME232639	1.19	0.81
Choline_R2	ME232729	1.19	0.81
Xanthurenic acid_R2	ME232872	1.18	0.82
Gabapentin_R2	ME232756	1.18	0.82
PEG n5_R2	ME232825	1.18	0.82
Valpromide_R2	ME232867	1.16	0.84
afegostat	ME232715	1.16	0.84
Cholinesulfate_R2	ME232731	1.16	0.84
Hexanoylglycine_R1	ME232767	1.17	0.83
DL-Carnitine_R1	ME232744	1.17	0.83
Asparaginyl-4-hydroxyproline	ME232718	1.17	0.83
Deoxyuridine	ME232741	1.17	0.83
Hypusine	ME232772	1.20	0.80
Betaine	ME232722	1.20	0.80
8-Amino-7-oxononanoate_R2	ME232700	1.20	0.80
1-Pyrroline-4-hydroxy-2-carboxylate	ME232657	1.20	0.80
(2S)-2-Amino-8-hydroxyoctanoic acid_R4	ME232640	1.20	0.80
Methylimidazoleaceticacid_R2	ME232790	1.21	0.79
dl-Bamethane	ME232743	1.21	0.79
Acetyl-L-carnitine_R1	ME232711	1.21	0.79
4-Nitroaniline	ME232690	1.21	0.79
(2S)-2-Amino-8-hydroxyoctanoic acid_R1	ME232637	1.21	0.79
3-Dehydrocarnitine_R1	ME232672	1.21	0.79
trihomomethionine	ME232854	1.23	0.77
gamma-L-Glutamylputrescine_R1	ME232760	1.23	0.77
2-Methylcholine	ME232666	1.23	0.77
Choline_R1	ME232728	1.23	0.77
n-Hexanamide_R1	ME232809	1.22	0.78
methyprylon_R2	ME232793	1.22	0.78
lys-thr	ME232785	1.22	0.78
Guvacoline	ME232765	1.22	0.78
6-Acetamido-3-aminohexanoate	ME232692	1.22	0.78
Acetylcholine_R2	ME232709	1.22	0.78
2-Amino-4-[(3-aminopropyl)amino]butanoic acid	ME232661	1.25	0.75
3-Methylcrotonylglycine	ME232677	1.25	0.75
Deoxyribosetriphosphate	ME232740	1.24	0.76
methyprylon_R1	ME232792	1.24	0.76
tyramine sulfate_R1	ME232857	1.28	0.72
Pregabalin_R2	ME232835	1.27	0.73
Acetophenone_R2	ME232706	1.27	0.73
Mercaptoethanol	ME232788	1.27	0.73
Gabapentin_R1	ME232755	1.26	0.74
n-Hexanamide_R2	ME232810	1.26	0.74
Sulfanilic acid	ME232844	1.41	0.59
4-[(E)-2-{[1-Carboxy-3-(methylsulfinyl)propyl]amino}vinyl]-2,3-dihydro-2,6-pyridinedicarboxylic acid	ME232681	1.42	0.58
delta-Guanidinovalericacid	ME232738	1.42	0.58
Methylimidazoleaceticacid_R3	ME232791	1.40	0.60
2-Amino-4-hydroxypteridine-6-carbaldehyde	ME232663	1.39	0.61
3-[(2-Methylbutanoyl)oxy]-4-(trimethylammonio)butanoate	ME232670	1.39	0.61
Aciclovir	ME232713	1.38	0.62
Imagabalin	ME232773	1.38	0.62
RiboflavinB2	ME232842	1.34	0.66
Prolylleucine	ME232838	1.36	0.64
Tyramine	ME232856	1.35	0.65
Psilocybin	ME232840	1.35	0.65
MDMA Methylene homolog	ME232786	1.35	0.65
Propionylcarnitine	ME232839	1.35	0.65
(2S)-2-{[1-(R)-Carboxyethyl]amino}pentanoate_R1	ME232635	1.31	0.69
UNII:V18J24E25E	ME232864	1.31	0.69
Phenacetin_R2	ME232833	1.32	0.68
Prenyl-L-cysteine	ME232836	1.32	0.68
Methylimidazoleacetic acid_R1	ME232789	1.29	0.71
tranexamic acid_R3	ME232850	1.30	0.70
1-(4-Methoxyphenyl)piperazine	ME232649	1.95	0.05
N-(5-Aminopentyl)acetamide_R2	ME232798	1.79	0.21
1,6-Dimethylpyrimido[5,4-e][1,2,4]triazine-5,7(1H,6H)-dione	ME232653	1.82	0.18
Xanthopterin-B2	ME232870	1.81	0.19
2-Amino-4-oxo-1,4,5,6,7,8-hexahydro-6-pteridinecarboxylic acid	ME232664	1.65	0.35
Kynurenic acid	ME232777	1.65	0.35
6-Acetyl-2-amino-1,7,8,9-tetrahydro-4H-pyrimido[4,5-b][1,4]diazepin-4-one	ME232693	1.63	0.37
Butyryl-L-carnitine	ME232725	1.62	0.38
(4R)-4-{[3-(2-Aminoethyl)-1H-indol-5-yl]methyl}-1,3-oxazolidin-2-one	ME232642	1.71	0.29
4-Hydroxy-5-[(E)-(hydroxymethylene)amino]-6-iminio-2-imino-1,2,5,6-tetrahydropyrimidin-5-ide	ME232685	1.68	0.32
(R)-1-Aminopropan-2-ol	ME232645	1.69	0.31
Valpromide_R1	ME232866	1.55	0.45
2-oxo-1_2-dihydroquinoline-4-carboxylate	ME232668	1.57	0.43
N-(5-Aminopentyl)acetamide_R1	ME232797	1.59	0.41
Biopterin	ME232724	1.45	0.55
Xanthurenic acid_R1	ME232871	1.46	0.54
(5R,6S)-3-[(2-Aminoethyl)sulfanyl]-6-(hydroxymethyl)-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid	ME232644	1.49	0.51
N-(1-{[Methyl(2-methyl-2-propanyl)carbamoyl]amino}ethyl)-alpha-asparagine	ME232795	1.49	0.51
Xanthurenic acid_R3	ME232873	1.50	0.50
Acetylcholine_R1	ME232708	1.50	0.50
(S)-Carnitine	ME232648	1.50	0.50
L-Indospicine	ME232782	1.51	0.49
Acetophenone_R1	ME232705	1.53	0.47
Valpromide_R3	ME232868	1.52	0.48
Valyl-4-hydroxyproline	ME232869	1.52	0.48
mebutamate	ME232787	0.33	1.67
N,N-Diisopropylethylamine (DIPEA)	ME232802	0.32	1.68
4-Amino-N^-hydroxypyrimidine-5-carboximidamide	ME232683	0.24	1.76
8-[(Carboxymethyl)amino]-8-oxooctanoic acid	ME232698	0.26	1.74
(S-(R,R))-3-((1-Carboxy-3-phenylpropyl)amino)-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetic Acid	ME232646	0.07	1.93
tyramine sulfate_R3	ME232859	0.09	1.91
2_4-Dinitrophenylhydrazine	ME232660	0.19	1.81
gln-lys	ME232762	0.17	1.83
S_S-Dimethyl-beta-propiothetin	ME232843	0.16	1.84
N-Methylpyridinium	ME232813	0.90	1.10
N5-Ethyl-L-glutamine	ME232803	0.90	1.10
Acetyl-L-carnitine_R2	ME232712	0.90	1.10
1-Methyladenine	ME232656	0.90	1.10
8-Amino-7-oxononanoate_R1	ME232699	0.90	1.10
Phenacetin_R1	ME232832	0.91	1.09
PEG n6_R2	ME232827	0.91	1.09
5-Methylcytosine	ME232691	0.91	1.09
Paracetamol_R1	ME232820	0.91	1.09
3-Carboxy-1-methylpyridinium;N-Methylnicotinicacid	ME232671	0.95	1.05
N-alpha-Acetylarginine	ME232805	0.94	1.06
Glycylproline	ME232763	0.94	1.06
7-Methoxy-2-methylene-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-5-carboxylic acid	ME232696	0.94	1.06
7-Methylguanine	ME232697	0.94	1.06
n-Hexanamide	ME232811	0.93	1.07
PEG n6_R1	ME232826	0.93	1.07
1-(beta-D-Ribofuranosyl)-1_4-dihydronicotinamide	ME232650	0.79	1.21
Pantothenicacid(VitaminB5)_R2	ME232819	0.79	1.21
PEG n8	ME232830	0.78	1.22
Adenine	ME232714	0.78	1.22
DEET	ME232737	0.78	1.22
N(6),N(6)-Dimethyladenine	ME232799	0.75	1.25
(S)-1-Pyrroline-5-carboxylate	ME232647	0.76	1.24
Ethyl N-acetyl-N-butyl-beta-alaninate_R2	ME232753	0.76	1.24
gamma-Glutamyl-gamma-aminobutyraldehyde	ME232758	0.76	1.24
Caprolactam	ME232726	0.82	1.18
4-Methylene-L-glutamate	ME232688	0.81	1.19
N-Undecanoylglycine_R1	ME232815	0.81	1.19
N-Acetylputrescine	ME232804	0.84	1.16
PEG n6_R3	ME232828	0.83	1.17
Creatinine	ME232732	0.83	1.17
Leucine_R2	ME232781	0.83	1.17
3-[(1R,2S,5R,6S)-5-Hydroxy-7-oxabicyclo[4.1.0]hept-2-yl]-L-alanine	ME232669	0.87	1.13
8-Amino-7-oxononanoate_R4	ME232702	0.88	1.12
4-Aminohippuricacid	ME232682	0.88	1.12
6-Methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol	ME232694	0.88	1.12
Pantothenicacid(VitaminB5)_R1	ME232818	0.85	1.15
UNII:OG645J8RVW	ME232863	0.86	1.14
2,2,6,6-Tetramethyl-4-piperidinol	ME232658	0.62	1.38
Hexanoylglycine_R2	ME232768	0.62	1.38
Proclavaminicacid	ME232837	0.64	1.36
p-cymene	ME232822	0.64	1.36
(3R,6R)-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl 3-methylbutanoate	ME232641	0.64	1.36
beta-Ionone	ME232723	0.64	1.36
Cytosine_R2	ME232736	0.65	1.35
Hexylamine	ME232769	0.65	1.35
ionene	ME232776	0.66	1.34
Hypoxanthine_R2	ME232771	0.66	1.34
Imidazoleacetic acid	ME232774	0.66	1.34
Indole;1-Benzazole	ME232775	0.67	1.33
p-Xylene	ME232841	0.67	1.33
UNII:BI845A018T	ME232862	0.72	1.28
Linoleoyl Ethanolamide	ME232783	0.72	1.28
Dihydrothymine	ME232742	0.72	1.28
Heptanophenone	ME232766	0.72	1.28
2-Amino-7-methyl-7,9-dihydro-1H-purine-6,8-dione	ME232665	0.74	1.26
Cyprodenate_R1	ME232733	0.73	1.27
PEG n9	ME232831	0.73	1.27
1,3-Diisopropylbenzene	ME232651	0.70	1.30
Valerolactam	ME232865	0.70	1.30
8-Amino-7-oxononanoate_R3	ME232701	0.69	1.31
4-(Heptyloxy)phenol	ME232678	0.69	1.31
(5E,7E)-Dodecadienal	ME232643	0.69	1.31
UNII:212JQJ15PS	ME232860	0.68	1.32
trans-Methyl dihydrojasmonate	ME232851	0.68	1.32
Cyprodenate_R2	ME232734	0.68	1.32
N-Undecanoylglycine_R2	ME232816	0.68	1.32
4-Hydroxy-8-(beta-D-talopyranosyloxy)-2-quinolinecarboxylic acid_R1	ME232686	0.45	1.55
n-Amylbenzene	ME232807	0.45	1.55
L-Prolinamide	ME232784	0.47	1.53
N-(4-Carbamimidamidobutyl)acetamide	ME232796	0.47	1.53
1_2_4-Trimethylbenzene	ME232654	0.39	1.61
8-Oxocoformycin	ME232703	0.40	1.60
Xanthurenic acid_R4	ME232874	0.43	1.57
carisoprodol	ME232727	0.42	1.58
Guanine	ME232764	0.42	1.58
Erucamide	ME232751	0.52	1.48
2-Methylguanosine	ME232667	0.50	1.50
UNII:6S7S02945H	ME232861	0.50	1.50
Oleoylethanolamide	ME232817	0.51	1.49
N-Carbamoylputrescine	ME232808	0.51	1.49
Asulam	ME232719	0.51	1.49
Cytosine_R1	ME232735	0.51	1.49
4-Guanidinobutanal	ME232684	0.55	1.45
PEG n7	ME232829	0.55	1.45
4-Hydroxy-8-(beta-D-talopyranosyloxy)-2-quinolinecarboxylic acid_R2	ME232687	0.54	1.46
Ethyl N-acetyl-N-butyl-beta-alaninate_R1	ME232752	0.54	1.46
N-Tridecanoylglycine	ME232814	0.57	1.43
PEG n10	ME232823	0.57	1.43
Benserazide	ME232720	0.59	1.41
1-Hexadecanoylpyrrolidine	ME232655	0.58	1.42
(-)-Lupinine	ME232634	0.58	1.42

Factors:

F1	Diet:mud crab diet
F2	Diet:oyster diet

Data matrix