Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004036)

GC POSITIVE ION MODE (Analysis AN006674)

Metabolite	Structure	F1	F2	F3
Tryptamine_2	ME1071896	2.84	0.01	0.24
Harmaline_2	ME1071762	2.96	0.01	0.14
N-Acetyl glucosamine	ME1071834	3.06	0.02	0.03
n-acetyl-d-hexosamine_1	ME1071840	3.01	0.03	0.05
Serotonin	ME1071876	3.00	0.03	0.07
isohexonic acid_2	ME1071782	2.28	0.55	0.22
N-Acetyl galactosamine	ME1071833	2.63	0.15	0.31
Inositol_2	ME1071779	2.47	0.26	0.34
hexaric acid	ME1071764	2.29	0.33	0.45
xylonic acid isomer	ME1071915	2.35	0.30	0.42
Harmaline_1	ME1071761	2.06	0.04	0.99
Fructose 6-phosphate_2	ME1071732	1.79	0.31	0.97
Fructose 6-phosphate_1	ME1071731	1.98	0.20	0.90
hexose-6-phosphate	ME1071765	1.96	0.24	0.88
4-Aminobutyric acid	ME1071678	2.19	0.29	0.59
3 hydroxy-3-methylglutaric acid	ME1071668	2.12	0.33	0.62
Dopa	ME1071724	2.13	0.34	0.59
b-Alanine	ME1071697	2.21	0.20	0.67
sucrose	ME1071885	2.24	0.16	0.68
L-Iditol_3	ME1071801	2.08	0.24	0.75
N-Acetyl-D-glucosamine_2	ME1071838	2.13	0.22	0.72
GABA_1	ME1071735	1.80	0.58	0.66
Iminodiacetate	ME1071774	1.95	0.51	0.60
Alanine_2	ME1071690	1.88	0.51	0.66
Methionine sulfoxide_3	ME1071825	1.93	0.46	0.67
Methionine sulfoxide_1	ME1071823	1.94	0.46	0.65
Methionine sulfoxide_2	ME1071824	1.94	0.47	0.65
3-Amino isobutyric acid	ME1071671	1.98	0.34	0.75
Tyrosine_2	ME1071899	1.89	0.42	0.75
isoleucine_1	ME1071783	1.46	1.04	0.50
saccharic acid	ME1071872	1.59	0.96	0.45
1-monoolein	ME1071660	1.66	0.79	0.57
isoleucine_3	ME1071785	1.46	0.85	0.71
Phenylalanine	ME1071859	1.49	0.86	0.67
L-Iditol_2	ME1071800	1.63	0.57	0.84
Quinic acid	ME1071867	1.67	0.52	0.86
Tyrosine_1	ME1071898	1.68	0.52	0.84
Homocysteine	ME1071769	1.74	0.53	0.77
3-METHYLGLUTARIC ACID	ME1071676	1.69	0.59	0.76
Ribitol_2	ME1071870	1.68	0.58	0.78
Alanine_1	ME1071689	1.48	0.73	0.81
Melibiose_5	ME1071821	1.50	0.71	0.82
3-Hydroxy-DL-kynurenine	ME1071675	1.57	0.61	0.86
galactonic acid	ME1071739	1.61	0.66	0.77
N-Acetyl-D-glucosamine_3	ME1071839	1.55	0.67	0.81
adenosine-5-monophosphate	ME1071687	1.37	0.76	0.90
Phosphate_1	ME1071860	1.38	0.76	0.89
1-METHYL-1-TRIMETHYLSILYL-2,3-BENZO-1-SILA-2-CYCLOPENTENE	ME1071657	1.38	0.71	0.94
7-methylguanine	ME1071684	1.41	0.70	0.93
Nicotinic acid	ME1071844	1.42	0.70	0.91
asparagine dehydrated	ME1071695	1.39	0.72	0.91
LACTIC ACID	ME1071789	1.41	0.73	0.89
Taurine	ME1071887	1.53	0.55	0.96
Adenosine	ME1071686	1.49	0.63	0.92
uridine_1	ME1071908	1.51	0.60	0.93
DL-beta-Hydroxybutyric acid	ME1071722	1.46	0.59	0.99
Threonine_1	ME1071889	1.41	0.65	0.97
Glucono-1,5-lactone_1	ME1071743	1.41	0.31	1.35
N-acetyl-5-hydroxytryptamine	ME1071835	1.64	0.25	1.19
1-Methyl histidine	ME1071656	1.61	0.40	1.04
Glucuronate	ME1071747	1.66	0.34	1.06
inositol_1	ME1071778	1.51	0.47	1.07
Uracil	ME1071900	1.56	0.48	1.00
5-Aminolevulinic acid	ME1071681	0.84	1.28	0.86
oxoproline_1	ME1071853	0.78	1.29	0.89
L-5-Oxoproline	ME1071788	0.78	1.31	0.88
Melibiose_1	ME1071817	0.77	1.32	0.88
urea_4	ME1071904	0.81	1.16	1.01
Xylitol	ME1071914	0.83	1.19	0.96
1,5-Anhydeo glucitol	ME1071646	0.81	1.19	0.99
oxoproline_2	ME1071854	0.81	1.20	0.97
DL-threo-beta-Methylaspartic acid	ME1071723	0.91	1.12	0.95
glycerol-3-galactoside	ME1071752	0.87	1.11	1.01
Ribitol_1	ME1071869	0.87	1.14	0.98
Succinic acid_2	ME1071884	1.01	1.20	0.76
D-Ribulose-5-phosphate	ME1071727	0.98	1.14	0.86
2-PHENYLPYRIMIDINE	ME1071667	0.96	1.18	0.84
Cadaverine_1	ME1071707	0.99	1.18	0.81
mannonic acid	ME1071814	0.99	1.19	0.80
L-Iditol_1	ME1071799	0.98	1.37	0.61
Methionine	ME1071826	1.00	1.34	0.62
Palmitic acid	ME1071856	0.87	1.38	0.71
Sorbitol	ME1071879	0.86	1.43	0.66
Asparagine	ME1071696	0.98	1.28	0.71
coniferin	ME1071710	0.91	1.30	0.77
Isocitric acid+Citric acid	ME1071780	0.92	1.30	0.75
Glucono-1,5-lactone_2	ME1071744	1.29	1.10	0.60
n-acetyl-d-hexosamine_2	ME1071841	1.22	1.03	0.74
Serine_2	ME1071875	1.20	1.06	0.73
Mannitol_1	ME1071812	1.26	0.94	0.80
DL-2,3-Diaminopropionic acid	ME1071720	1.20	0.99	0.80
Threonine_2	ME1071890	1.20	0.99	0.80
Glutamic acid	ME1071748	1.23	0.90	0.88
L-Glutamine	ME1071798	1.21	0.90	0.90
1-Aminocycropropane-1-carboxylic acid	ME1071654	1.32	0.83	0.87
beta-Ketoadipic acid	ME1071703	1.30	0.89	0.81
D-(-)-Penicillamine	ME1071715	1.33	0.86	0.83
benzylamine	ME1071700	1.11	0.73	1.18
uridine_3	ME1071910	1.08	0.75	1.19
2-HEXANOL	ME1071665	1.04	0.77	1.21
N-Acetyl-D-glucosamine 6-phosphate	ME1071836	1.06	0.76	1.21
beta-D-(+)-Glucose	ME1071701	1.05	0.79	1.18
Histidine_1	ME1071767	1.05	0.79	1.19
alpha-Lactose_2	ME1071694	1.06	0.78	1.18
z C26 FAME internal standard	ME1071923	1.07	0.77	1.18
Glycolic acid_1	ME1071754	1.07	0.79	1.16
Stearic acid	ME1071882	1.08	0.79	1.15
maleimide	ME1071805	1.06	0.80	1.17
Spermidine	ME1071881	1.05	0.81	1.16
4-Hydroxy-L-proline	ME1071679	1.11	0.83	1.08
octadecanol	ME1071848	1.09	0.84	1.09
TRANS-2-DODECENYL ACETATE	ME1071892	1.09	0.83	1.09
C18 FAME	ME1071706	1.06	0.82	1.14
D-(-)-Fructose_2	ME1071714	1.09	0.82	1.12
3(S)-CITRONELAL	ME1071669	1.08	0.80	1.14
12-METHYL-1-METHOXYTETRADECANE	ME1071648	1.08	0.81	1.13
METHYLMALONIC ACID	ME1071830	1.08	0.81	1.13
METHYL HEPTANOATE	ME1071829	1.04	0.84	1.13
16-FLUOROHEXADECANOL	ME1071653	1.06	0.83	1.12
z C12 FAME internal standard	ME1071918	1.07	0.83	1.12
(Z)-7-HEXADECENYL ACETATE	ME1071644	1.06	0.84	1.11
11-EICOSENOL	ME1071647	1.07	0.84	1.10
TRANS-2-HEXENOIC ACID	ME1071893	1.06	0.85	1.10
N-carbamoylaspartate	ME1071843	1.00	0.88	1.13
15-METHYLHEXADECANOIC ACID METHYL ESTER	ME1071652	1.01	0.86	1.14
Uric acid	ME1071905	1.02	0.85	1.15
Succinic acid_1	ME1071883	1.02	0.88	1.11
z C16 FAME internal standard	ME1071919	1.03	0.87	1.11
z C09 FAME internal standard	ME1071916	1.04	0.88	1.09
z C30 FAME internal standard	ME1071925	1.05	0.86	1.11
1-HEXADECANOL	ME1071655	1.05	0.86	1.10
METHYL (Z)-10-PENTADECENOATE	ME1071827	1.05	0.86	1.10
3-ETHENYL-2,5-DIHEPTYLTETRAHYDROFURAN	ME1071673	1.04	0.87	1.10
z C10 FAME internal standard	ME1071917	1.05	0.87	1.09
13-METHYLTETRADECANOIC ACID METHYL ESTER	ME1071650	1.05	0.87	1.09
C12 FAME	ME1071705	1.05	0.87	1.09
ETHYL 2-HYDROXYVALERATE	ME1071729	1.05	0.87	1.10
z C22 FAME internal standard	ME1071921	1.05	0.87	1.10
3-phosphoglycerate	ME1071677	1.01	0.91	1.09
Terephthalic acid	ME1071888	1.04	0.90	1.08
Glycolic acid_2	ME1071755	0.96	0.95	1.09
4-Hydroxypyridine	ME1071680	1.06	0.90	1.04
phosphogluconic acid	ME1071862	0.99	0.97	1.04
12-METHYLTRIDECANOIC ACID METHYL ESTER	ME1071649	1.00	0.96	1.04
lactobionic acid_2	ME1071793	1.01	0.95	1.04
z C28 FAME internal standard	ME1071924	1.03	0.92	1.06
Glucose	ME1071746	1.01	0.94	1.06
METHYL DOCOSANOATE	ME1071828	1.02	0.94	1.04
z C24 FAME internal standard	ME1071922	1.03	0.94	1.05
GABA_2	ME1071736	0.94	1.03	1.03
D-(+)-Galactosamine	ME1071716	0.97	1.01	1.02
D-Panose	ME1071726	0.96	1.02	1.02
HEXADECANOL	ME1071763	1.02	0.98	1.00
D-Fructose 6-phosphate	ME1071718	1.02	1.01	0.97
L-Aspartic acid	ME1071795	1.01	1.04	0.95
ornithine	ME1071851	1.10	1.01	0.89
Myristic acid methyl ester	ME1071832	1.12	0.89	1.00
Valine	ME1071911	1.13	0.94	0.94
beta-gentiobiose_2	ME1071702	1.07	0.96	0.97
Proline	ME1071863	1.07	0.95	0.98
Benzoic acid	ME1071699	1.15	0.79	1.08
nonanoic acid_2	ME1071846	1.12	0.80	1.10
isohexonic acid_1	ME1071781	1.22	0.69	1.12
beta-N-Methyl-amino-L-alanine	ME1071704	1.17	0.75	1.10
putrescine_2	ME1071865	1.19	0.73	1.12
Phosphate_2	ME1071861	1.21	0.76	1.05
glycerol-1-phosphate	ME1071661	1.21	0.73	1.09
Uridine 5^-diphospho-N-acetylglucosamine	ME1071907	1.21	0.74	1.07
Glycerol	ME1071751	1.23	0.73	1.06
Hydroxylamine	ME1071770	1.24	0.71	1.08
N-Acetyl-D-glucosamine_1	ME1071837	1.25	0.77	1.00
(R)-(-)-Phenylephrine	ME1071643	1.24	0.77	1.01
Glycolic acid_3	ME1071756	1.28	0.76	0.98
Indoleacetic acid	ME1071775	1.28	0.73	1.01
Oxamic acid	ME1071852	1.33	0.72	0.99
alanine-alanine	ME1071691	1.32	0.68	1.04
uridine_2	ME1071909	1.28	0.71	1.05
a-Ketoglutaric acid	ME1071688	1.23	0.84	0.95
Serine_1	ME1071874	1.21	0.82	0.99
Fumaric acid	ME1071734	1.27	0.83	0.92
Tryptamine_1	ME1071895	1.29	0.78	0.95
Adenine	ME1071685	1.32	0.78	0.93
alpha-Lactose_1	ME1071693	1.32	0.77	0.94
lactitol_1	ME1071790	1.38	0.50	1.17
sophorose_2	ME1071878	1.33	0.51	1.21
Trehalose	ME1071894	1.12	0.69	1.22
Malonic acid	ME1071806	1.27	0.62	1.15
Maltotriose_4	ME1071811	1.24	0.63	1.17
Glutamine_2	ME1071750	0.80	1.08	1.11
urea_2	ME1071902	0.80	1.08	1.11
Lysine	ME1071804	0.83	1.03	1.14
pyrophosphate	ME1071866	0.88	1.01	1.10
urea_3	ME1071903	0.86	1.03	1.11
z C18 FAME internal standard	ME1071920	0.85	1.05	1.10
L-(-)-Malic acid	ME1071787	0.90	0.87	1.25
z hexose pertms	ME1071926	0.88	0.87	1.27
Glutamine_1	ME1071749	0.88	0.91	1.22
nonanoic acid_1	ME1071845	0.85	0.94	1.21
Glycine	ME1071753	0.88	0.94	1.19
R-(-)-1-Amino-2-propanol	ME1071868	0.87	0.94	1.20
Citrulline	ME1071709	0.85	0.97	1.17
erythronic acid	ME1071728	0.82	0.96	1.22
Glycylglycine_3	ME1071759	0.82	0.99	1.19
Maltotriose_2	ME1071809	0.81	1.00	1.20
BENZENE-1,2,4,5-TETRACARBOXYLIC ACID	ME1071698	0.93	0.91	1.17
O-Acetyl-L-serine	ME1071847	0.93	0.91	1.17
(-)-Shikimic acid	ME1071642	0.89	0.96	1.15
urea_1	ME1071901	0.91	0.97	1.12
Gentiobiose	ME1071742	0.64	0.99	1.37
maltotriitol	ME1071807	0.65	0.95	1.41
7,7,8,8-TETRACYANOQUINODIMETHANE	ME1071683	0.80	0.95	1.25
isoleucine_2	ME1071784	0.78	0.96	1.26
Fructose_1	ME1071730	0.74	0.95	1.32
2-Oxoglutaric acid	ME1071666	0.71	0.99	1.30
Cysteamine	ME1071711	0.75	0.98	1.28
Linoleic acid	ME1071802	0.69	1.06	1.24
TARTARIC ACID	ME1071886	0.68	1.05	1.27
1,2-BENZENEDICARBOXYLIC ACID ISOPROPYL 2-ETHYLHEXYL ESTER	ME1071645	0.71	1.10	1.18
2-Aminoethanol	ME1071663	0.74	1.11	1.14
Ribitol_3	ME1071871	0.47	1.33	1.17
O-Phosphoethanolamine	ME1071850	0.47	1.23	1.27
Xanthosine	ME1071913	0.49	1.27	1.22
Meso erythritol	ME1071822	0.65	1.33	0.99
Paeoniflorin	ME1071855	0.63	1.19	1.17
3-Aminopropionitrile	ME1071672	0.67	1.22	1.08
N-Acetylputrescine	ME1071842	0.64	1.25	1.09
Cystine	ME1071712	0.16	1.04	1.80
Sarcosine	ME1071873	0.42	0.90	1.69
Xanthine	ME1071912	0.41	0.96	1.64
DL-2-HYDROXYBUTANOIC ACID	ME1071721	0.41	1.15	1.42
glucosaminic acid	ME1071745	0.45	1.05	1.50
1-methylgalactose	ME1071658	1.22	0.10	1.77
Melibiose_4	ME1071820	1.25	0.23	1.59
Melibiose_2	ME1071818	1.02	0.42	1.62
Inosine_2	ME1071777	0.98	0.51	1.56
isomaltose	ME1071786	1.02	0.53	1.49
Inosine_1	ME1071776	1.02	0.61	1.40
Leucine	ME1071797	1.06	0.56	1.43
Thymine	ME1071891	1.09	0.53	1.42
Galactose	ME1071740	0.95	0.73	1.35
Melibiose_3	ME1071819	0.98	0.73	1.32
2-Aminobutyric acid	ME1071662	0.98	0.67	1.39
Hypoxanthine	ME1071773	0.92	0.70	1.41
Cadaverine_2	ME1071708	0.89	0.61	1.54
D-(-)-Fructose_1	ME1071713	0.74	0.75	1.53
Histidine_2	ME1071768	0.81	0.68	1.54
galactinol_1	ME1071737	0.84	0.41	1.81
Uridine 5^-diphosphate	ME1071906	0.84	0.46	1.75
2-Deoxyinosine	ME1071664	0.91	0.26	1.89
Guanosine	ME1071760	0.95	0.32	1.80
Allose	ME1071692	0.60	0.49	1.96
D-Glucose 6-phosphate	ME1071719	0.61	0.80	1.60
3-Hydroxy kynurenine	ME1071674	0.63	0.68	1.73
Glycylglycine_1	ME1071757	0.66	0.65	1.72
5-Oxoproline	ME1071682	0.03	2.78	0.02
galactose-6-phosphate	ME1071741	0.10	2.67	0.06
Glycylglycine_2	ME1071758	0.08	2.68	0.08
Mannitol_2	ME1071813	1.20	1.46	0.29
3^-adenylic acid	ME1071670	0.04	1.96	0.91
Fructose_2	ME1071733	0.68	1.78	0.47
Lauric acid	ME1071796	0.66	1.73	0.54
Myristic acid	ME1071831	0.62	1.77	0.53
Linolenic acid	ME1071803	0.74	1.63	0.57
Pantothenate	ME1071858	0.77	1.56	0.61
Oleic acid	ME1071849	0.70	1.49	0.76
Sorbose	ME1071880	0.66	1.58	0.70
D-(+)-Maltose	ME1071717	0.51	1.73	0.69
beta-gentiobiose_1	ME1071651	0.40	1.76	0.76
Melezitose_2	ME1071816	0.46	1.69	0.79
Lactitol_2	ME1071791	0.58	1.47	0.91
sophorose_1	ME1071877	0.41	1.63	0.90
Hydroxyproline	ME1071771	0.41	1.51	1.03
Melezitose_1	ME1071815	0.39	1.51	1.06
Tyramine	ME1071897	0.44	2.24	0.19
Hypotaurine	ME1071772	0.15	2.37	0.34
lactobionic acid_1	ME1071792	0.28	2.26	0.33
L-Asparagine	ME1071794	0.24	2.30	0.34
galactinol_2	ME1071738	0.27	1.95	0.69
Maltotriose_1	ME1071808	0.31	2.05	0.54
Maltotriose_3	ME1071810	0.39	1.99	0.52
Dopamine	ME1071725	0.73	1.90	0.28
putrescine_1	ME1071864	0.68	1.93	0.30
Palmitoleic acid	ME1071857	0.47	2.09	0.33
1-Methylhistamine	ME1071659	0.57	2.05	0.27
Histamine	ME1071766	0.60	1.97	0.33

Factors:

F1	pupae growth stage:melanized \| Sample source:pupae tissue
F2	pupae growth stage:prepupae \| Sample source:pupae tissue
F3	pupae growth stage:red-eyed \| Sample source:pupae tissue

Data matrix