Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004294)

Ion pair NEGATIVE ION MODE (Analysis AN007140)

Metabolite	Structure	F1	F2
Xanthosine	ME1166054	1.00	NA
Xanthine	ME1166053	1.00	NA
Uridine monophosphate (UMP)_4	ME1166052	1.00	NA
Uridine monophosphate (UMP)_3	ME1166051	1.00	NA
Uridine monophosphate (UMP)_2	ME1166050	1.00	NA
Uridine monophosphate (UMP)_1	ME1166049	1.00	NA
Uracil_2	ME1166048	1.00	NA
Uracil_1	ME1166047	1.00	NA
trans-Cinnamic acid_2	ME1166046	1.00	NA
trans-Cinnamic acid_1	ME1166045	1.00	NA
Thymidine 5^-monophosphate	ME1166044	1.00	NA
Threonine	ME1166043	1.00	NA
Succinic acid_3	ME1166042	1.00	NA
Succinic acid_2	ME1166041	1.00	NA
Succinic acid_1	ME1166040	1.00	NA
Porphobilinogen_3	ME1166037	1.00	NA
Porphobilinogen_2	ME1166036	1.00	NA
Porphobilinogen_1	ME1166035	1.00	NA
Phenylacetaldehyde_2	ME1166034	1.00	NA
Phenylacetaldehyde_1	ME1166033	1.00	NA
Pantothenic acid_3	ME1166032	1.00	NA
Pantothenic acid_2	ME1166031	1.00	NA
Pantothenic acid_1	ME1166030	1.00	NA
Ornithine_2	ME1166029	1.00	NA
Ornithine_1	ME1166028	1.00	NA
O-Acetylserine	ME1166027	1.00	NA
N-Tigloylglycine	ME1166026	1.00	NA
N-Isovalerylglycine_2	ME1166025	1.00	NA
N-Isovalerylglycine_1	ME1166024	1.00	NA
N-Isovalerylglycine	ME1166023	1.00	NA
Nicotinic acid	ME1166022	1.00	NA
N-Formylmethionine	ME1166021	1.00	NA
Nateglinide	ME1166020	1.00	NA
N-Acetylornithine	ME1166019	1.00	NA
N-Acetyl-L-tyrosine_2	ME1166018	1.00	NA
N-Acetyl-L-tyrosine_1	ME1166017	1.00	NA
N-Acetyl-L-phenylalanine	ME1166016	1.00	NA
N-Acetyl-DL-glutamic acid	ME1166015	1.00	NA
N-Acetyl-D-alloisoleucine_4	ME1166014	1.00	NA
N-Acetyl-D-alloisoleucine_3	ME1166013	1.00	NA
N-Acetyl-D-alloisoleucine_2	ME1166012	1.00	NA
N-Acetyl-D-alloisoleucine_1	ME1166011	1.00	NA
N1-tetrahydrofuran-2-ylmethyl-2-cyanoacetamide	ME1166009	1.00	NA
Myristyl sulfate	ME1166008	1.00	NA
Mevalonic acid	ME1166006	1.00	NA
L-Tyrosine_3	ME1166005	1.00	NA
L-Tyrosine_2	ME1166004	1.00	NA
L-Tyrosine_1	ME1166003	1.00	NA
L-Threonic acid	ME1166002	1.00	NA
L-Phenylalanine_2	ME1166001	1.00	NA
L-Phenylalanine_1	ME1166000	1.00	NA
L-Iditol	ME1165999	1.00	NA
L-Histidine_2	ME1165998	1.00	NA
L-Histidine_1	ME1165997	1.00	NA
L-Dopa	ME1165996	1.00	NA
L-Aspartic acid	ME1165995	1.00	NA
L-(-)-3-Phenyllactic acid	ME1165994	1.00	NA
Indole-3-acetic acid_2	ME1165993	1.00	NA
Indole-3-acetic acid_1	ME1165992	1.00	NA
Hypoxanthine	ME1165991	1.00	NA
Guanosine monophosphate (GMP)_5	ME1165989	1.00	NA
Guanosine monophosphate (GMP)_4	ME1165988	1.00	NA
Guanosine monophosphate (GMP)_3	ME1165987	1.00	NA
Guanosine monophosphate (GMP)_2	ME1165986	1.00	NA
Guanosine monophosphate (GMP)_1	ME1165985	1.00	NA
Guanine	ME1165984	1.00	NA
Glycodeoxycholic acid	ME1165983	1.00	NA
Glycocholic acid	ME1165982	1.00	NA
Glycerol 3-phosphate	ME1165981	1.00	NA
Glutaric acid	ME1165980	1.00	NA
(E)-6-hydroxyoctadec-4-enoic acid	ME1165919	1.00	NA
D-α-Hydroxyglutaric acid	ME1165979	1.00	NA
D-(+)-Tryptophan_2	ME1165973	1.00	NA
D-(+)-Tryptophan_1	ME1165972	1.00	NA
Dodecyl sulfate_2	ME1165978	1.00	NA
Dodecyl sulfate_1	ME1165977	1.00	NA
D-(+)-Mannose	ME1165971	1.00	NA
DL-β-Leucine	ME1165976	1.00	NA
Dibutyl phthalate	ME1165975	1.00	NA
Deoxycholic acid	ME1165974	1.00	NA
Citric acid_2	ME1165970	1.00	NA
Citric acid_1	ME1165969	1.00	NA
Cholic acid	ME1165968	1.00	NA
Capryloylglycine	ME1165967	1.00	NA
Biotin	ME1165966	1.00	NA
Adenosine 5^-monophosphate_4	ME1165965	1.00	NA
Adenosine 5^-monophosphate_3	ME1165964	1.00	NA
Adenosine 5^-monophosphate_2	ME1165963	1.00	NA
Adenosine 5^-monophosphate_1	ME1165962	1.00	NA
Adenosine 3^5^-cyclic monophosphate	ME1165961	1.00	NA
Adenine_2	ME1165960	1.00	NA
Adenine_1	ME1165959	1.00	NA
6-Hydroxycaproic acid_2	ME1165958	1.00	NA
6-Hydroxycaproic acid_1	ME1165957	1.00	NA
5-Hydroxytryptophan_4	ME1165956	1.00	NA
5-Hydroxytryptophan_3	ME1165955	1.00	NA
5-Hydroxytryptophan_2	ME1165954	1.00	NA
5-Hydroxytryptophan_1	ME1165953	1.00	NA
5-Hydroxyindole-3-acetic acid	ME1165952	1.00	NA
5-Chloro-4-fluoro-2-nitroaniline	ME1165951	1.00	NA
5-(2-Methylpropyl)-3,6-dioxo-2-piperazinepropanoic acid_7	ME1165950	1.00	NA
5-(2-Methylpropyl)-3,6-dioxo-2-piperazinepropanoic acid_6	ME1165949	1.00	NA
5-(2-Methylpropyl)-3,6-dioxo-2-piperazinepropanoic acid_5	ME1165948	1.00	NA
5-(2-Methylpropyl)-3,6-dioxo-2-piperazinepropanoic acid_4	ME1165947	1.00	NA
5-(2-Methylpropyl)-3,6-dioxo-2-piperazinepropanoic acid_3	ME1165946	1.00	NA
5-(2-Methylpropyl)-3,6-dioxo-2-piperazinepropanoic acid_2	ME1165945	1.00	NA
5-(2-Methylpropyl)-3,6-dioxo-2-piperazinepropanoic acid_1	ME1165944	1.00	NA
4-Oxoproline_2	ME1165943	1.00	NA
4-Oxoproline_1	ME1165942	1.00	NA
4-Indolecarbaldehyde_2	ME1165941	1.00	NA
4-Indolecarbaldehyde_1	ME1165940	1.00	NA
4-Cyanoindole	ME1165939	1.00	NA
4-{[3-(Diethylamino)propyl]amino}-4-oxobut-2-enoic acid	ME1165937	1.00	NA
3-Hydroxydecanoic acid	ME1165936	1.00	NA
3-Hydroxy-3-methylglutaric acid	ME1165935	1.00	NA
3-(Cyclohexylamino)-2-hydroxy-1-propanesulfonic acid	ME1165931	1.00	NA
3,4-Dihydroxyphenylpropionic acid_2	ME1165934	1.00	NA
3,4-Dihydroxyphenylpropionic acid_1	ME1165933	1.00	NA
3,4-Dihydroxybenzenesulfonic acid	ME1165932	1.00	NA
2-Hydroxyvaleric acid	ME1165930	1.00	NA
2-Hydroxycaproic acid	ME1165929	1.00	NA
2-Aminooctanedioic acid_2	ME1165928	1.00	NA
2-Aminooctanedioic acid_1	ME1165927	1.00	NA
2-(acetylamino)-4-(methylthio)butanoic acid_3	ME1165925	1.00	NA
2-(acetylamino)-4-(methylthio)butanoic acid_2	ME1165924	1.00	NA
2-(acetylamino)-4-(methylthio)butanoic acid_1	ME1165923	1.00	NA
2,5-di-tert-Butylhydroquinone	ME1165926	1.00	NA
16-Hydroxyhexadecanoic acid	ME1165922	1.00	NA
(15Z)-9,12,13-Trihydroxy-15-octadecenoic acid_1	ME1165918	1.00	NA
12-Hydroxydodecanoic acid	ME1165920	1.00	NA
13S-hydroxy-9Z,11E,15Z-octadecatrienoic acid	ME1165921	1.00	NA
α-Aspartylphenylalanine	ME1166055	NA	1.00
Salicylic acid	ME1166039	NA	1.00
Riboflavin	ME1166038	NA	1.00
N-Acetylalanine	ME1166010	NA	1.00
Myriocin	ME1166007	NA	1.00
4-{[5-(6-Hydroxy-5,5,8a-trimethyl-2-methylenedecahydro-1-naphthalenyl)-3-methylpentyl]oxy}-4-oxobutanoic acid	ME1165938	NA	1.00
Hexadecanedioic acid	ME1165990	NA	1.00

Factors:

F1	Sample source:Bacillus licheniformis \| factor:ground
F2	Sample source:Bacillus licheniformis \| factor:space

Data matrix