Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolomics of Shark Bay stromatolites (Study ST000572)

UHPLC POSITIVE ION MODE (Analysis AN000881)

Metabolite	Structure	F1	F2	F3
CITRATE	ME169358	0.75	1.28	0.97
N-ACETYLPUTRESCINE	ME169396	0.69	1.42	0.89
ALANINE/SARCOSINE	ME169349	0.63	1.73	0.63
L-ALLOTHREONINE	ME169380	0.55	1.77	0.67
3-AMINO-5-HYDROXYBENZOIC ACID	ME169334	0.78	1.58	0.63
ERYTHRITOL	ME169371	0.68	1.61	0.71
N-ACETYL-DL-GLUTAMIC ACID	ME169394	0.70	1.57	0.73
ADENOSINE	ME169348	0.88	1.99	0.13
5-Hydroxymethyl-2-furaldehyde_R2	ME169343	0.26	2.48	0.26
5-Hydroxymethyl-2-furaldehyde_R1	ME169342	0.40	2.19	0.41
HEXOSE-DISACCHARIDE	ME169377	0.37	2.26	0.37
Erucamide	ME169370	0.62	0.55	1.83
4-HYDROXY-L-PHENYLGLYCINE	ME169338	0.73	1.00	1.27
5^-DEOXYADENOSINE	ME169341	0.85	0.69	1.46
URIDINE	ME169428	0.94	0.75	1.31
5-OXO-L-PROLINE	ME169345	1.22	0.69	1.08
DEOXYURIDINE	ME169365	1.30	0.55	1.15
ADENINE	ME169347	1.11	0.56	1.33
PIPECOLATE/L-PIPECOLIC ACID	ME169412	1.09	0.58	1.34
D-Ribose	ME169368	1.16	0.62	1.22
SUCCINATE	ME169416	1.17	0.64	1.20
5-AMINOLEVULINIC ACID	ME169340	1.09	0.68	1.23
Stachydrine	ME169415	1.12	0.68	1.20
CYTIDINE	ME169361	1.03	0.75	1.21
DEOXYCYTIDINE	ME169364	1.01	0.75	1.24
GLUTARATE	ME169374	1.09	0.78	1.13
PICOLINIC ACID	ME169411	1.08	0.77	1.15
TRANS-CINNAMALDEHYDE	ME169419	1.04	0.80	1.16
Isocytosine	ME169379	1.06	0.75	1.19
PYRIDOXAL	ME169414	1.05	0.77	1.18
L-CARNITINE	ME169381	1.15	0.82	1.03
N-ACETYLGLYCINE	ME169395	1.19	0.83	0.98
PEG n5	ME169408	1.15	0.90	0.94
Tryptophan	ME169423	1.12	0.91	0.97
Pyridine	ME169413	1.09	0.87	1.03
5-Hydroxy-N-formylkynurenine	ME169344	1.04	0.93	1.03
Monobutyl phthalate	ME169392	1.06	0.92	1.02
N-Acetyl-Arginine	ME169393	1.12	1.07	0.81
CYTOSINE	ME169362	1.08	1.06	0.85
DEOXYCARNITINE	ME169363	1.08	1.05	0.86
CREATININE	ME169360	0.96	1.08	0.96
TRANS-CINNAMATE	ME169420	0.98	1.06	0.97
Tryptophan-2,3,3-D3	ME169424	0.97	1.05	0.98
ALDO/KETO-HEXOSE	ME169350	0.94	1.11	0.96
CITRAMALATE	ME169357	0.92	1.09	0.99
N-BOC-L-tert-Leucine	ME169398	0.91	1.09	1.00
4-IMIDAZOLEACETIC ACID	ME169339	0.88	1.16	0.95
ASPARTATE	ME169351	0.92	1.15	0.93
Creatine-D3	ME169359	0.95	1.14	0.91
BETAINE	ME169352	0.92	1.01	1.06
Ergothioneine	ME169369	0.90	1.05	1.05
PHENETHYLAMINE	ME169409	0.89	1.04	1.07
NICOTINAMIDE-N-OXIDE	ME169403	1.04	1.06	0.91
Tetrahydrothiophene-1-oxide	ME169418	1.03	1.03	0.94
N-METHYL-D-ASPARTIC ACID	ME169404	1.03	0.98	0.99
Triethyl phosphate	ME169421	1.02	0.97	1.00
L-Leucine 13C6	ME169386	1.02	1.00	0.98
L-Tyrosine 13C6	ME169390	1.01	1.00	1.00
Dipropylene glycol	ME169367	1.02	0.99	1.00
L-Phenylalanine 13C6	ME169388	1.01	0.99	1.00
BOC-D-Phenylalanine	ME169353	1.00	0.99	1.02
Palmitoleic acid	ME169406	0.99	0.99	1.02
3,4-Dimethylbenzoic acid	ME169332	0.99	1.00	1.00
BOC-L-Tyrosine	ME169354	0.99	1.00	1.01
Acetaminophen/Paracetamol	ME169346	1.00	1.00	1.01
Sulcatol	ME169417	1.00	1.00	1.00
3,5-Di-tert-butylbenzaldehyde	ME169333	0.98	1.02	1.01
METHYL JASMONATE	ME169391	0.98	1.02	1.00
Caffeine-D3	ME169355	0.98	1.02	1.00
Dibutyl phthalate	ME169366	0.98	1.02	1.00
N-BOC-L-Aspartic Acid	ME169397	0.99	1.02	0.99
3-METHYL-2-OXINDOLE	ME169335	1.00	1.01	0.99
L-Leucine-D10	ME169387	1.00	1.01	0.98
Formylkynurenine	ME169372	0.98	0.96	1.06
N-Butylbenzenesulfonamide	ME169401	1.01	0.95	1.04
N-BOC-L-Tryptophan_R1	ME169399	1.01	0.97	1.02
N-BOC-L-Tryptophan_R2	ME169400	1.00	0.97	1.02
URACIL	ME169426	1.40	0.76	0.85
4-AMINOBUTANOATE (GABA)	ME169336	1.42	0.71	0.87
Phenylalanine	ME169410	1.41	0.72	0.88
2-Hydroxyphenylalanine	ME169331	1.25	0.82	0.93
HYPOXANTHINE	ME169378	1.31	0.74	0.96
UROCANATE	ME169429	1.26	1.04	0.70
L-Isoleucine	ME169384	1.16	0.96	0.88
NICOTINAMIDE	ME169402	1.23	0.90	0.87
2,4-DIHYDROXYPTERIDINE	ME169330	1.31	0.87	0.83
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE	ME169373	1.26	0.94	0.79
Leu Pro_R1	ME169382	1.62	0.29	1.08
L-PROLINE	ME169389	1.70	0.24	1.06
URATE	ME169427	1.67	0.52	0.81
Choline	ME169356	1.55	0.61	0.84
L-LEUCINE	ME169385	1.53	0.55	0.93
Norephedrine	ME169405	1.30	0.11	1.59
1,3-Benzodioxolyl-N-methylbutanamine (MBDB)	ME169329	1.53	0.15	1.32
Leu Pro_R2	ME169383	1.48	0.35	1.18
Glycyl-L-leucine	ME169375	1.35	0.32	1.32
TYRAMINE	ME169425	1.42	0.25	1.32
GUANINE	ME169376	1.22	0.39	1.39
Pantothenic Acid	ME169407	1.27	0.43	1.31
4-GUANIDINOBUTANOATE	ME169337	1.33	0.44	1.23
Trigonelline	ME169422	1.32	0.40	1.28

Factors:

F1	microbial community type:colloform stromatolite forming mat
F2	microbial community type:pustular stromatolite forming mat
F3	microbial community type:smooth stromatolite forming mat

Data matrix