Metabolomics Workbench : NIH Data Repository

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

UHPLC NEGATIVE ION MODE (Analysis AN000882)

Metabolite	Structure	F1	F2	F3
Guanosine	ME169459	0.52	2.33	0.06
GLUCONIC ACID/D-GULONIC ACID GAMA-LACTONE	ME169454	0.52	1.99	0.43
N-ACETYL-L-LEUCINE	ME169472	0.79	1.89	0.25
GLYCERIC ACID	ME169457	1.09	0.96	0.95
Monobutyl phthalate	ME169469	1.12	0.92	0.95
3-tert-Butyladipic acid	ME169436	1.16	0.93	0.91
4-HYDROXYBENZALDEHYDE	ME169437	1.15	0.91	0.93
2,4-DIHYDROXYPTERIDINE	ME169430	1.25	0.91	0.82
3-methyladipic acid	ME169434	1.26	0.88	0.85
4-oxoproline	ME169438	1.17	0.82	1.01
6-Hydroxycaproic acid	ME169439	1.25	0.79	0.95
3-(2-HYDROXYPHENYL)PROPANOATE	ME169431	1.25	0.84	0.89
L-TYROSINE	ME169465	1.20	0.86	0.93
LACTATE	ME169462	1.05	1.05	0.89
N-ACETYL-D-MANNOSAMINE	ME169471	1.00	1.11	0.88
L-GLUTAMIC ACID	ME169463	0.99	1.05	0.96
3-Aminosalicylic acid	ME169432	0.98	1.07	0.94
Tryptophan-2,3,3-D3	ME169485	0.96	1.09	0.94
ASPARTATE	ME169443	0.94	1.06	1.00
N-BOC-L-tert-Leucine_R1	ME169476	0.90	1.09	1.00
N-BOC-L-tert-Leucine_R2	ME169477	0.90	1.10	1.00
GLUCOSE/FRUCTOSE_R1	ME169455	1.01	0.95	1.04
GLUCOSE/FRUCTOSE_R2	ME169456	1.01	0.95	1.04
3-SULFINO-L-ALANINE	ME169435	0.99	0.95	1.07
Dinoterb (herbicide)	ME169451	0.97	0.94	1.09
SUCCINIC ACID-13C4	ME169483	1.04	1.00	0.95
Mono-(2-Ethylhexyl) Phthalate	ME169468	1.02	1.01	0.97
L-Phenylalanine-13C6	ME169464	1.03	1.00	0.97
L-Tyrosine-13C6	ME169466	1.03	1.00	0.96
ANTHRANILATE	ME169442	0.97	0.99	1.04
N-BOC-L-Aspartic Acid_R1	ME169474	1.00	1.01	0.99
Salicylic Acid-D4	ME169481	1.00	1.01	0.99
N-BOC-L-Tryptophan_R1	ME169478	1.00	0.99	1.02
N-BOC-L-Tryptophan_R2	ME169479	1.00	0.99	1.02
N-BOC-L-Aspartic Acid_R2	ME169475	1.00	1.00	1.00
BOC-L-Tyrosine_R1	ME169444	0.99	1.00	1.01
BOC-L-Tyrosine_R2	ME169445	0.99	1.00	1.01
N-ACETYLSEROTONIN	ME169473	1.09	0.78	1.15
URIDINE	ME169487	0.99	0.75	1.30
HYPOXANTHINE	ME169460	1.34	0.67	0.98
DEOXYURIDINE	ME169449	1.33	0.58	1.10
XANTHINE	ME169488	1.31	0.58	1.12
SUCCINATE	ME169482	1.19	0.63	1.19
3-Hydroxydecanoic acid	ME169433	1.19	0.71	1.11
ALDOPENTOSE	ME169441	1.22	0.67	1.13
Inosine	ME169461	1.23	0.66	1.11
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTURONIC ACID	ME169450	1.02	1.32	0.62
Xylenesulfonate	ME169489	1.21	1.14	0.61
C6H12O6-HEXOSE/KETOSE/INOSITOL	ME169446	0.72	1.52	0.73
DISACCHARIDE (6C/6C)/2-alpha-D-glucosyl-D-glucose	ME169452	0.67	1.63	0.67
CITRIC ACID-13C6	ME169448	0.71	1.37	0.92
CITRATE	ME169447	0.77	1.26	0.96
N-ACETYL-DL-GLUTAMIC ACID	ME169470	0.85	1.25	0.89
ADENINE	ME169440	1.04	0.56	1.44
GUANINE	ME169458	1.22	0.38	1.44
N-METHYL-L-GLUTAMATE	ME169480	1.25	0.23	1.58
ETHYLMALONIC ACID	ME169453	1.35	0.44	1.23
MALATE	ME169467	1.42	0.27	1.35
Sulfoacetaldehyde	ME169484	1.76	0.20	1.05
URATE	ME169486	1.67	0.52	0.79

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