Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST004122)

Reversed phase POSITIVE ION MODE (Analysis AN006834)

Metabolite	Structure	F1	F2	F3	F4
5a-Cholest-8-en-3b-ol	ME1097538	NA	0.20	NA	1.80
all-trans-Retinoic acid	ME1097464	NA	0.34	NA	1.66
2-Aminophenol	ME1097409	NA	0.33	NA	1.67
3-Hydroxybenzyl alcohol glucoside	ME1097421	NA	0.32	NA	1.68
Cellobiose	ME1097466	NA	0.39	NA	1.61
Pelargonic acid	ME1097441	NA	0.40	NA	1.60
Diphenylamine	ME1097525	NA	0.44	NA	1.56
D-Psicose	ME1097452	NA	0.45	NA	1.55
Glycyrrhetinate	ME1097497	NA	1.56	NA	0.44
Heptanoic acid	ME1097422	NA	1.54	NA	0.46
(3S,5S)-Carbapenam-3-carboxylic acid	ME1097511	NA	1.65	NA	0.35
4-Hydroxycoumarin	ME1097521	NA	1.64	NA	0.36
4-Pyridoxic acid	ME1097455	NA	1.69	NA	0.31
Niacinamide	ME1097487	NA	1.67	NA	0.33
Isonicotinic acid	ME1097475	NA	1.17	NA	0.83
2-Heptanone	ME1097412	NA	1.16	NA	0.84
Spiroxamine	ME1097536	NA	1.16	NA	0.84
(6Z)-Octadecenoic acid	ME1097463	NA	1.14	NA	0.86
N,N-Dimethylaniline	ME1097492	NA	1.15	NA	0.85
Norepinephrine	ME1097450	NA	1.15	NA	0.85
Confertifolin	ME1097534	NA	1.11	NA	0.89
Oleic acid	ME1097462	NA	1.11	NA	0.89
Epsilon-caprolactam	ME1097499	NA	1.12	NA	0.88
Phosphorylcholine	ME1097480	NA	1.13	NA	0.87
Mandelic acid	ME1097436	NA	1.13	NA	0.87
Maltol	ME1097489	NA	1.13	NA	0.87
2-Ketobutyric acid	ME1097404	NA	1.13	NA	0.87
4-Hydroxycinnamic acid	ME1097430	NA	1.13	NA	0.87
Sorbitol	ME1097447	NA	1.19	NA	0.81
OPEO	ME1097494	NA	1.21	NA	0.79
Homovanillic acid	ME1097446	NA	1.20	NA	0.80
Pyridoxine	ME1097449	NA	1.20	NA	0.80
(R)-2-O-Sulfolactate	ME1097524	NA	1.24	NA	0.76
Nicotinic acid	ME1097418	NA	1.24	NA	0.76
Porphobilinogen	ME1097460	NA	1.24	NA	0.76
D-Fructose	ME1097454	NA	1.23	NA	0.77
Linoleic acid	ME1097461	NA	1.22	NA	0.78
threo-3-Hydroxy-D-aspartate	ME1097515	NA	1.22	NA	0.78
2-Aminobenzoic acid	ME1097426	NA	1.44	NA	0.56
Riboflavin	ME1097469	NA	1.40	NA	0.60
2-Amino-2-deoxy-D-gluconate	ME1097451	NA	1.39	NA	0.61
2-Oxo-4-methylthiobutanoic acid	ME1097514	NA	1.39	NA	0.61
2-Hydroxy-3-(4-hydroxyphenyl)propenoic acid	ME1097403	NA	1.42	NA	0.58
Acetylphosphate	ME1097512	NA	1.41	NA	0.59
Epinephrine	ME1097448	NA	1.35	NA	0.65
Docosatetraenoyl Ethanolamide	ME1097539	NA	1.28	NA	0.72
Trigonelline	ME1097510	NA	1.29	NA	0.71
Spermidine	ME1097427	NA	1.30	NA	0.70
D-Arabitol	ME1097435	NA	1.32	NA	0.68
1-Pyrroline-2-carboxylic acid	ME1097498	NA	1.31	NA	0.69
(2Z,4S,5R)-2-Amino-4,5,6-trihydroxyhex-2-enoate	ME1097528	NA	1.31	NA	0.69
3-Sulfinylpyruvic acid	ME1097508	NA	0.60	NA	1.40
4-Hydroxyphenylacetaldehyde	ME1097509	NA	0.60	NA	1.40
(R)-5,6-Dihydrothymine	ME1097504	NA	0.65	NA	1.35
2-Amino-4-nitrotoluene	ME1097517	NA	0.63	NA	1.37
Acetylcysteine	ME1097443	NA	0.63	NA	1.37
3-Hydroxymethylglutaric acid	ME1097429	NA	0.81	NA	1.19
Deoxyuridine	ME1097457	NA	0.79	NA	1.21
Phenylethylamine	ME1097488	NA	0.79	NA	1.21
Anabasine	ME1097428	NA	0.69	NA	1.31
Glutaric acid	ME1097423	NA	0.70	NA	1.30
Sphingosine	ME1097495	NA	0.70	NA	1.30
Cholesterol	ME1097468	NA	0.73	NA	1.27
1-palmitoylglycerophosphocholine	ME1097485	NA	0.72	NA	1.28
3-Methylindole	ME1097413	NA	0.72	NA	1.28
3-Hydroxyphenylacetic acid	ME1097437	NA	0.74	NA	1.26
Cinnamaldehyde	ME1097424	NA	0.74	NA	1.26
1,2,3-Trihydroxybenzene	ME1097503	NA	0.76	NA	1.24
3-Dehydroshikimate	ME1097440	NA	0.76	NA	1.24
Dihydrothymine	ME1097505	NA	0.75	NA	1.25
5alpha-Cholestanone	ME1097491	NA	0.75	NA	1.25
Capsidiol	ME1097481	NA	0.75	NA	1.25
Neocnidilide	ME1097527	NA	0.91	NA	1.09
1-Hexadecanol	ME1097459	NA	0.91	NA	1.09
alpha-Tocopherol	ME1097470	NA	0.91	NA	1.09
Stearidonic acid	ME1097482	NA	0.92	NA	1.08
Resorcinol monoacetate	ME1097438	NA	0.92	NA	1.08
L-Histidinol	ME1097476	NA	0.92	NA	1.08
L-Valine	ME1097415	NA	0.92	NA	1.08
Aldosterone	ME1097467	NA	0.93	NA	1.07
Hydroxykynurenine	ME1097458	NA	0.93	NA	1.07
Octadecanamide	ME1097484	NA	0.94	NA	1.06
Indole	ME1097474	NA	0.94	NA	1.06
L-Glutamine	ME1097477	NA	0.94	NA	1.06
Deoxyuridine-5^-triphosphate	ME1097472	NA	0.96	NA	1.04
myo-Inositol	ME1097453	NA	0.95	NA	1.05
N,N-Dimethylsphingosine	ME1097496	NA	0.95	NA	1.05
Phenylacetic acid	ME1097416	NA	0.85	NA	1.15
5-Aminoimidazole-4-carboxamide	ME1097502	NA	0.84	NA	1.16
Hydroxyphenyllactic acid	ME1097530	NA	0.84	NA	1.16
2-Aminoisobutyric acid	ME1097405	NA	0.87	NA	1.13
m-Cresol	ME1097407	NA	0.87	NA	1.13
Thiabendazole	ME1097533	NA	0.88	NA	1.12
Pimelic acid	ME1097442	NA	0.88	NA	1.12
N-methyl-L-glutamic Acid	ME1097490	NA	0.88	NA	1.12
Methyl jasmonate	ME1097456	NA	0.88	NA	1.12
L-Fucose	ME1097445	NA	0.88	NA	1.12
erythro-3-Hydroxy-Ls-aspartate	ME1097516	NA	0.88	NA	1.12
3,4-Methylenedioxyamphetamine	ME1097486	NA	0.88	NA	1.12
Dimethylglycine	ME1097406	NA	0.88	NA	1.12
Swainsonine	ME1097520	NA	0.89	NA	1.11
L-2-Hydroxyglutaric acid	ME1097431	NA	0.89	NA	1.11
Carbendazim	ME1097531	NA	0.89	NA	1.11
Dihydrouracil	ME1097414	NA	0.89	NA	1.11
Tetrahydrodipicolinate	ME1097526	NA	0.90	NA	1.10
Uric acid	ME1097434	NA	0.90	NA	1.10
2-Deoxy-D-glucose	ME1097444	NA	1.09	NA	0.91
Serotonin	ME1097493	NA	1.06	NA	0.94
Genistin	ME1097471	NA	1.06	NA	0.94
D-Xylitol	ME1097425	NA	1.06	NA	0.94
Chavicol	ME1097507	NA	1.06	NA	0.94
5-Hydroxypentanoic acid	ME1097501	NA	1.06	NA	0.94
Agmatine	ME1097506	NA	1.06	NA	0.94
Phenylacetaldehyde	ME1097417	NA	1.07	NA	0.93
Ketoleucine	ME1097410	NA	1.07	NA	0.93
Oleamide	ME1097483	NA	1.07	NA	0.93
Se-Methylselenocysteine	ME1097529	NA	1.05	NA	0.95
Jasmonic acid	ME1097532	NA	1.05	NA	0.95
Erucic acid	ME1097465	NA	1.05	NA	0.95
2-Deoxystreptamine	ME1097523	NA	1.05	NA	0.95
2-Pyrocatechuic acid	ME1097518	NA	1.05	NA	0.95
Choline	ME1097473	NA	1.04	NA	0.96
Creatinine	ME1097411	NA	1.04	NA	0.96
Catechol	ME1097408	NA	1.01	NA	0.99
(R) 2,3-Dihydroxy-3-methylvalerate	ME1097513	NA	1.01	NA	0.99
2,3-Butanediol	ME1097439	NA	1.03	NA	0.97
Benzoate	ME1097419	NA	1.03	NA	0.97
Scopoline	ME1097519	NA	1.02	NA	0.98
3-(2-Hydroxyphenyl)propanoic acid	ME1097478	NA	1.02	NA	0.98
p-Octopamine	ME1097479	NA	1.02	NA	0.98
4-Hydroxycinnamoylmethane	ME1097522	NA	0.97	NA	1.03
Phosphonoacetate	ME1097420	NA	0.98	NA	1.02
Nornicotine	ME1097432	NA	0.98	NA	1.02
3-Methyladenine	ME1097433	NA	0.98	NA	1.02
Acacetin	ME1097535	NA	0.98	NA	1.02
9,10-Dihydroxystearate	ME1097537	NA	0.99	NA	1.01
L-2,4-diaminobutyric acid	ME1097500	NA	1.00	NA	1.00

Factors:

F1	Sample source:rhizosphere soil \| Treatment:No SynCom \| IonMode:Negative
F2	Sample source:rhizosphere soil \| Treatment:No SynCom \| IonMode:Positive
F3	Sample source:rhizosphere soil \| Treatment:SynCom inoculation \| IonMode:Negative
F4	Sample source:rhizosphere soil \| Treatment:SynCom inoculation \| IonMode:Positive

Data matrix