Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolomics of bovine uterine fluid at the onset of conceptus elongation (Study ST000335)

UHPLC HESI POSITIVE ION MODE (Analysis AN000540)

Metabolite	Structure	F1	F2	F3	F4	F5
1,4-Naphthoquinone	ME117282	0.02	0.02	7.35	0.02	0.02
Auricularine_5	ME117374	0.02	0.14	5.30	1.91	0.17
Portulacaxanthin I	ME117616	0.19	1.75	4.36	0.30	0.06
3-Oxohexobarbital	ME117325	0.07	0.30	3.80	0.27	0.22
Phenylethylmalonamide_1	ME117602	0.12	0.31	3.98	0.50	0.32
S-Acetyldihydrolipoamide	ME117634	0.60	0.15	3.94	0.24	0.21
Cerulenin_2	ME117399	0.35	0.33	4.04	0.31	0.26
Phthalate	ME117605	0.38	0.33	3.96	0.29	0.32
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid	ME117295	0.29	0.18	3.92	0.10	0.47
Glycocholate	ME117474	0.32	0.15	4.24	0.13	0.33
Quercetin	ME117630	NA	0.04	3.91	NA	0.02
6-Methoxymellein	ME117347	0.07	0.07	4.26	0.07	0.07
Gallate	ME117460	0.00	0.01	4.31	0.01	0.01
Danielone	ME117425	0.05	0.06	4.59	0.05	0.06
Vermelone_2	ME117681	0.11	0.15	4.69	0.10	0.13
Isopropalin	ME117485	0.18	0.28	4.81	0.58	0.04
3-(4-Hydroxyphenyl)lactate	ME117310	0.02	0.02	5.17	0.02	0.02
Genipin	ME117463	0.07	0.05	5.14	0.05	0.06
Prostaglandin B1	ME117620	0.02	0.01	0.01	4.72	0.03
Retinoate	ME117631	0.01	0.00	0.00	5.46	0.01
Heptadecatrienoic acid	ME117476	0.01	0.01	NA	2.99	NA
Nandrolone	ME117548	NA	0.01	0.01	2.98	NA
Leukotriene A4	ME117500	0.02	0.00	0.00	3.96	0.01
Tromethamine	ME117659	0.00	0.00	0.01	3.65	0.00
2-Hydroxymethylclavam	ME117305	0.52	0.16	0.66	2.99	0.39
Tris(butoxyethyl)phosphate_3	ME117658	0.80	0.51	0.64	2.23	0.65
2-(Methylthio)ethanesulfonate	ME117294	3.59	0.35	0.70	0.39	0.24
Mandelonitrile	ME117529	4.21	0.07	0.96	0.08	0.05
Otonecine_3	ME117581	0.60	0.44	0.83	0.12	2.81
(3-Arylcarbonyl)-alanine	ME117273	0.55	0.42	0.51	0.27	2.99
Magnesium dipropionate	ME117528	0.47	0.37	0.55	0.12	3.23
Cyclohexylsulfamate	ME117418	0.57	0.62	0.51	0.50	2.58
D-2-Hydroxyisocaproate_3	ME117423	0.72	0.46	0.84	0.65	2.17
Piperidine_3	ME117609	2.86	1.58	0.25	0.20	0.40
Piperidine_4	ME117610	2.14	1.66	0.45	0.23	0.74
Isovalerylcarnitine_1	ME117487	0.31	2.23	0.64	1.64	0.21
Auricularine_6	ME117375	0.82	2.96	0.40	0.53	0.93
(-)-Solenopsin A	ME117264	0.87	2.06	0.81	0.66	0.72
9,10-Phenanthroquinone_1	ME117351	0.14	0.13	2.22	1.58	1.26
6-Acetamido-3-oxohexanoate_2	ME117344	0.16	0.71	3.07	1.07	0.15
Indicaxanthin	ME117483	0.05	0.32	3.19	0.10	NA
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate	ME117318	0.59	0.51	3.40	0.59	0.56
Phenylethylmalonamide_2	ME117603	0.39	0.49	3.42	0.39	0.43
Auricularine_3	ME117372	0.55	1.50	1.86	0.45	0.79
cis-Aconitate	ME117406	0.76	1.17	1.70	0.86	0.61
Latia luciferin_1	ME117493	1.00	1.03	1.63	0.83	0.62
Pirbuterol_1	ME117614	0.66	1.11	2.00	0.61	0.75
Tris(butoxyethyl)phosphate_2	ME117657	0.73	0.95	2.21	0.68	0.58
Glycine_1	ME117472	1.11	0.97	1.96	0.65	0.49
Isofenphos	ME117484	0.84	1.20	2.01	0.71	0.41
Butanoylphosphate	ME117389	1.19	0.21	2.16	0.80	0.73
Histamine	ME117481	1.15	0.49	2.31	0.55	0.66
L-Methionine	ME117512	1.10	0.40	2.24	0.64	0.74
DIMBOA	ME117442	0.74	0.70	2.74	0.43	0.54
N-Methyl-N,4-dinitrosoaniline	ME117557	0.63	0.49	2.98	0.59	0.49
N,N-Dihydroxy-L-tyrosine	ME117542	0.61	0.45	2.88	0.61	0.61
2-Amino-5-chlorophenol	ME117300	0.91	0.47	2.69	0.72	0.39
O-Succinyl-L-homoserine	ME117578	0.90	0.51	2.64	0.45	0.67
Thiomorpholine 3-carboxylate	ME117646	0.89	0.31	2.76	0.51	0.69
Lidocaine	ME117505	0.54	0.75	2.10	1.17	0.50
3,4-Dihydroxy-L-phenylalanine	ME117313	0.71	0.56	2.33	0.66	0.84
Succinylproline	ME117640	0.77	0.62	2.11	0.71	0.87
4-Hydroxy-2-butynal_2	ME117333	0.37	0.72	2.40	0.61	0.99
N-(Acetyloxy)benzenamine	ME117541	0.46	0.57	2.40	0.81	0.83
Pyridoxine_1	ME117628	0.57	0.57	2.49	0.69	0.79
alpha-D-Galactosyl-N-acetyllactosamine	ME117360	0.49	0.99	2.54	0.94	0.20
Deoxyribose	ME117428	0.34	0.70	2.78	0.76	0.55
6-Acetamido-3-oxohexanoate_1	ME117343	0.41	0.99	2.42	0.73	0.60
N-Acetyl-L-glutamate 5-semialdehyde	ME117546	0.48	0.78	2.49	0.78	0.59
Abietate	ME117353	2.08	0.42	1.83	0.55	0.34
Lichenin	ME117504	2.03	0.30	1.29	0.39	1.09
Oxandrolone	ME117583	2.71	0.40	1.29	0.49	0.34
Uracil_2	ME117675	2.43	0.40	1.32	0.56	0.47
N-Cyclohexylformamide	ME117550	2.31	0.41	0.97	0.50	0.93
Pyridoxamine_2	ME117627	2.57	0.54	0.99	0.44	0.65
Pyridoxal_2	ME117625	0.48	1.71	0.66	0.26	1.86
3-(Hydrohydroxyphosphoryl)pyruvate	ME117312	0.41	1.59	0.98	0.81	1.21
(+)-Bornane-2,5-dione_4	ME117268	0.52	1.46	0.88	0.78	1.34
Toluene-cis-dihydrodiol	ME117649	0.58	0.75	0.73	1.75	1.03
5,6-Dihydrouracil	ME117340	0.83	0.33	1.01	1.58	1.12
L-Asparagine	ME117491	0.64	0.38	1.08	1.91	0.84
4-Hydroxyphenylacetate_1	ME117335	0.36	0.24	1.47	1.68	1.10
Mephentermine_1	ME117531	0.51	0.72	1.00	1.36	1.28
Glycerol	ME117469	0.41	0.39	1.03	1.43	1.54
Propanoate	ME117619	0.37	0.37	1.06	1.48	1.53
Diisononyl phthalate_2	ME117440	1.04	1.14	0.46	1.82	0.49
Urocanate_2	ME117679	1.37	1.02	0.44	1.46	0.68
Trimethylamine N-oxide	ME117655	1.21	0.65	1.24	0.37	1.54
Allantoin	ME117356	0.92	0.69	1.35	0.51	1.53
Creatinine	ME117410	1.08	0.65	1.18	0.64	1.44
Capsi-amide_3	ME117395	0.39	0.50	1.66	0.53	1.85
1-Pyrroline-2-carboxylate_1	ME117292	0.84	0.41	1.68	0.62	1.43
Crotanecine	ME117411	0.70	0.31	2.04	0.55	1.40
N6-Methyl-L-lysine	ME117544	1.86	0.45	1.41	0.61	0.79
Dinitrochlorobenzene	ME117443	1.71	0.50	1.27	0.71	0.89
L-Lysine	ME117510	1.68	0.41	1.35	0.77	0.87
Succinic anhydride	ME117639	1.69	0.63	1.10	0.79	0.86
Xanthine	ME117684	1.84	0.77	1.04	0.64	0.82
Furfuryl alcohol	ME117459	1.92	0.62	1.18	0.68	0.72
L-Aspartate	ME117492	1.90	0.68	1.06	0.80	0.66
Ethyl tiglate_2	ME117457	1.43	0.68	0.92	1.06	0.92
L-Octanoylcarnitine_1	ME117515	1.48	0.46	0.98	1.05	1.01
Tropinone_6	ME117667	1.60	0.73	0.99	1.02	0.71
Allopumiliotoxin 267A_2	ME117358	1.58	0.83	0.74	0.95	0.93
Nicotinamide_1	ME117553	1.55	0.83	1.04	0.75	0.89
3-Methyl-2-oxobutanoic acid_2	ME117322	1.52	0.70	1.01	0.87	0.94
Hypoxanthine	ME117482	1.47	0.87	0.93	0.84	0.95
(-)-Limonene_2	ME117260	1.49	0.78	0.90	0.93	0.93
5-Nitro-ortho-anisidine	ME117341	1.81	0.81	0.79	0.73	0.92
alpha-Irone_2	ME117363	1.71	0.81	0.82	0.69	1.03
3-Methoxybenzyl alcohol_2	ME117320	1.79	0.49	0.83	0.85	1.06
Adenine	ME117355	1.84	0.46	0.95	0.90	0.90
Dodecanoic acid	ME117447	1.99	1.03	0.79	0.52	0.82
Nicotinamide_2	ME117554	2.13	0.79	1.13	0.57	0.55
S 1033	ME117633	1.66	1.17	1.02	0.83	0.47
Thymyl acetate_2	ME117648	1.79	1.16	1.05	0.71	0.46
Pyridoxamine_1	ME117626	1.65	1.15	0.60	0.87	0.79
Tropinone_5	ME117666	1.80	0.87	0.72	0.99	0.68
(S)-2-Hydroxypropylphosphonate	ME117277	1.82	0.19	0.93	1.49	0.57
L-Valine_1	ME117526	1.94	0.85	0.68	1.32	0.30
1,2-Diamino-4-nitrobenzene	ME117280	1.99	0.64	0.95	1.03	0.49
Pseudopelletierine	ME117621	2.05	0.52	0.83	0.99	0.68
Otonecine_2	ME117580	0.72	1.28	1.45	1.32	0.30
O-Butanoylcarnitine	ME117569	0.66	1.41	1.12	1.43	0.40
Ephedrine_2	ME117451	0.75	1.43	1.22	1.23	0.44
Otonecine_1	ME117579	0.83	1.58	1.27	1.09	0.35
Diisononyl phthalate_1	ME117439	0.86	1.14	1.31	1.25	0.49
(-)-Hygroline	ME117258	0.96	1.19	1.36	1.00	0.50
(+)-Norephedrine_1	ME117269	0.95	1.35	1.03	1.17	0.56
11-Aminoundecanoic acid	ME117283	0.92	1.39	1.10	0.91	0.75
beta-Citryl-L-glutamate	ME117380	0.88	1.21	1.22	0.98	0.77
N-Methylaniline	ME117556	0.92	1.29	1.13	1.04	0.68
Phenylacetaldehyde_1	ME117597	0.71	1.78	1.42	0.71	0.53
8-Amino-7-oxononanoate	ME117350	0.84	1.62	1.13	0.87	0.64
Thymyl acetate_1	ME117647	0.86	1.66	1.21	0.61	0.79
Coniine	ME117408	0.80	1.69	0.93	1.13	0.52
O-Decanoyl-L-carnitine_1	ME117574	0.52	1.84	1.30	1.05	0.40
D-Cathinone	ME117426	0.87	0.93	1.34	1.51	0.37
Civetol	ME117407	1.07	0.71	1.32	1.44	0.48
Tropinone_3	ME117664	0.99	0.70	1.43	1.24	0.66
Phenylacetylglutamine	ME117599	0.54	1.06	1.02	1.54	0.77
p-Cymene_1	ME117586	0.93	0.68	1.11	1.28	0.95
Tropinone_2	ME117663	0.88	0.74	1.09	1.51	0.73
L-Carnitine	ME117497	0.81	0.91	1.12	1.37	0.76
Cyclohexanone	ME117417	0.81	0.80	1.05	1.38	0.90
N-Phenyl-1-naphthylamine_3	ME117564	0.84	0.88	1.06	1.32	0.85
Anandamide_2	ME117368	0.73	0.79	1.28	1.39	0.78
(+)-Norephedrine_2	ME117270	0.80	0.90	1.24	1.25	0.80
Glycidyl stearate	ME117471	0.84	1.34	0.67	1.36	0.77
2-Hydroxyfelbamate_1	ME117303	0.82	1.45	0.59	1.08	1.03
Dopamine	ME117449	0.87	1.43	0.59	1.05	1.04
5-Oxo-1,2-campholide	ME117342	1.17	1.63	0.54	0.87	0.84
Otonecine_4	ME117582	1.04	1.32	0.73	0.99	0.93
3-tert-Butyl-5-methylcatechol_2	ME117327	1.10	1.43	0.73	0.79	0.99
Piperidione_1	ME117612	1.25	1.26	0.67	0.85	1.00
Latia luciferin_4	ME117496	1.05	1.27	0.68	0.74	1.26
Phenylethyl alcohol_2	ME117601	1.14	1.32	0.90	0.65	1.05
Dichloromethane	ME117435	0.89	0.97	0.69	1.16	1.22
Tetralin	ME117644	0.85	1.09	0.78	1.05	1.18
alpha-Irone_3	ME117364	0.84	1.13	0.86	0.81	1.34
Dacarbazine	ME117424	0.99	1.06	0.82	0.89	1.21
Undecanoic acid_2	ME117673	0.65	1.04	0.86	1.06	1.32
L-Tryptophanamide_2	ME117523	0.78	1.03	0.74	0.99	1.39
p-Xylene	ME117623	0.79	1.09	0.70	0.86	1.49
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol	ME117271	0.96	0.91	0.60	1.31	1.14
Rhodanine	ME117632	1.13	0.86	0.67	1.23	1.06
Auricularine_1	ME117370	0.91	1.19	0.55	1.13	1.28
Urocanate_1	ME117678	1.04	1.11	0.42	1.20	1.16
Capsi-amide_1	ME117393	1.16	0.80	1.11	1.20	0.74
Dinitrosopentamethylenetetramine_2	ME117445	1.23	0.89	0.94	1.15	0.79
N1-Methyl-2-pyridone-5-carboxamide	ME117543	1.23	0.90	0.88	1.24	0.76
Geranyl formate_2	ME117466	1.18	1.13	0.65	1.25	0.79
Geranyl formate_1	ME117465	1.31	1.12	1.04	1.00	0.62
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine	ME117551	1.30	1.32	0.85	0.91	0.70
Cinnamaldehyde	ME117400	1.26	1.19	0.75	1.00	0.83
4-Oxoproline_2	ME117339	1.36	1.04	0.85	1.00	0.78
Tropine_1	ME117660	1.30	1.08	0.84	1.05	0.77
Butopyronoxyl_2	ME117391	1.32	1.19	0.82	1.02	0.71
Hexanoic acid	ME117479	1.39	1.19	0.81	0.96	0.71
2-Hydroxyfelbamate_2	ME117304	0.57	1.33	1.21	0.88	1.04
Spermidine	ME117638	0.65	1.31	0.94	1.13	0.95
Acetylagmatine	ME117354	0.77	1.43	1.05	0.85	0.95
Isovalerylcarnitine_2	ME117488	0.86	1.33	0.86	0.88	1.09
Carboxynorspermidine	ME117396	0.76	1.19	1.11	0.95	1.00
cis-1,2-Dihydronaphthalene-1,2-diol_3	ME117403	0.79	1.23	0.98	0.96	1.04
Geranyl formate_3	ME117467	1.06	0.51	1.15	1.06	1.17
3-tert-Butyl-5-methylcatechol_3	ME117328	1.07	0.68	0.81	1.18	1.19
(+)-Bornane-2,5-dione_1	ME117265	1.07	0.64	0.83	1.24	1.15
3-Oxododecanoic acid_1	ME117323	1.15	0.77	0.96	1.04	1.06
Methyl farnesoate	ME117536	1.05	0.78	0.99	1.11	1.05
N-Acetyl-L-2-amino-6-oxopimelate	ME117545	0.93	0.82	1.11	0.84	1.29
Phenyl acetate	ME117596	1.16	0.77	0.97	0.77	1.32
N-Heptanoylhomoserine lactone	ME117552	0.99	0.78	0.92	0.96	1.30
Diacetyl_2	ME117432	1.17	0.74	0.90	0.95	1.20
(E)-4-(Trimethylammonio)but-2-enoate_2	ME117276	1.12	0.70	0.89	0.98	1.26
Latia luciferin_3	ME117495	1.20	0.87	1.07	0.95	0.94
Nonane-4,6-dione	ME117560	1.18	0.93	1.12	0.92	0.88
cis-1,2-Dihydronaphthalene-1,2-diol_2	ME117402	1.13	1.03	1.09	0.91	0.89
Methyleugenol	ME117537	1.13	0.97	1.03	1.00	0.89
2-Maleylacetate	ME117306	1.32	0.92	0.96	0.85	0.98
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate	ME117315	1.19	0.90	0.97	0.95	1.00
Piperidione_2	ME117613	1.28	0.94	0.88	1.01	0.90
Precocene II_2	ME117618	1.25	0.88	0.98	1.00	0.91
Isoquinoline	ME117486	1.10	0.97	0.73	1.08	1.09
L-Leucine_3	ME117509	1.14	1.02	0.79	1.06	0.97
Oblongolide_1	ME117567	1.21	1.01	0.75	0.99	1.03
Phenacetin	ME117592	1.21	1.02	0.87	0.89	1.03
6-endo-Hydroxycineole_2	ME117346	1.26	1.12	0.88	0.92	0.86
3-Methoxybenzyl alcohol_1	ME117319	1.12	1.13	0.87	0.92	0.98
Butopyronoxyl_1	ME117390	1.17	1.12	0.86	0.96	0.92
O-Propanoylcarnitine	ME117576	1.07	1.14	1.07	1.08	0.68
alpha-Irone_1	ME117362	1.05	1.07	1.16	1.01	0.75
Putrescine	ME117622	1.06	1.06	1.18	0.97	0.78
cis-4,5-Dihydroxy-4,5-dihydropyrene	ME117405	0.97	1.20	0.97	0.91	0.96
Decanoic acid	ME117427	1.04	1.20	0.90	0.98	0.90
Octanoic acid_1	ME117571	1.02	1.14	0.91	0.96	0.99
L-Metanephrine	ME117511	1.11	1.17	1.13	0.88	0.78
3-tert-Butyl-5-methylcatechol_1	ME117326	1.04	1.15	1.02	0.97	0.86
trans-Cinnamate_2	ME117652	1.06	1.22	1.05	0.88	0.85
N-Trimethyl-2-aminoethylphosphonate_2	ME117566	0.86	1.11	1.10	0.86	1.08
alpha-Amylcinnamaldehyde	ME117359	0.97	1.00	1.11	0.84	1.09
Dinitrosopentamethylenetetramine_1	ME117444	0.91	1.01	1.04	0.88	1.16
Luciduline	ME117525	0.87	1.04	1.09	0.84	1.16
Ethyl isovalerate_1	ME117454	0.99	1.11	0.99	0.80	1.13
3-Oxododecanoic acid_2	ME117324	1.01	1.10	1.10	0.75	1.07
Allopumiliotoxin 267A_1	ME117357	1.01	1.10	1.13	0.81	0.99
Cyclohexane-1,3-dione_2	ME117415	0.96	0.88	0.86	1.32	0.93
Ethyl tiglate_1	ME117456	0.95	0.99	0.87	1.15	1.00
Dibasic sodium phosphate	ME117434	0.94	1.04	0.85	1.17	0.97
Orthophosphate	ME117577	0.91	1.02	0.89	1.18	0.97
Glycine_2	ME117473	0.90	0.90	0.96	1.18	1.03
Nonanoic acid	ME117561	0.79	1.00	0.98	1.21	0.99
Brunfelsamidine	ME117386	0.86	1.04	1.12	0.97	1.02
Thiodiacetic acid	ME117645	0.92	1.10	1.09	0.96	0.96
N-Phenyl-1-naphthylamine_1	ME117562	0.92	0.92	1.19	0.98	1.00
gamma-Undecalactone	ME117462	1.00	0.95	1.12	0.91	1.03
4-Hydroxyphenylacetate_2	ME117336	0.97	0.97	1.16	0.96	0.96
Oblongolide_2	ME117568	0.98	0.98	1.16	0.94	0.96
9,10-Phenanthroquinone_2	ME117352	1.05	1.02	0.91	1.01	1.01
Trp-P-1	ME117668	1.08	0.96	0.89	1.06	1.00
2-Methylisoborneol	ME117307	1.09	1.03	0.97	0.97	0.96
Pentachloroethane	ME117590	1.12	1.00	0.95	0.92	1.02
Hexylamine	ME117480	0.97	1.09	1.02	1.02	0.92
Methamphetamine_2	ME117534	0.97	1.06	0.95	1.06	0.95
Guanethidine	ME117475	0.94	1.08	0.98	1.07	0.93
Octylamine	ME117573	0.95	1.08	0.98	1.08	0.91
Phenylethyl alcohol_1	ME117600	1.00	0.89	1.07	1.01	1.03
Tris(butoxyethyl)phosphate_1	ME117656	1.02	0.91	1.05	0.97	1.04
Dodemorph	ME117448	1.00	0.86	1.02	1.02	1.08
ML-236C	ME117539	1.00	0.90	0.98	1.05	1.05
Sinapyl alcohol	ME117636	1.01	0.91	1.00	1.04	1.03
Cryptopleurine	ME117412	0.93	1.05	1.10	1.01	0.92
Benzamide	ME117377	0.97	1.01	1.07	1.04	0.92
N-Methylpelletierine	ME117558	0.98	1.03	1.04	1.05	0.90
Bis(1-aziridinyl)morpholinophosphine sulfide_2	ME117382	0.94	1.03	1.09	0.97	0.98
Apiole	ME117369	0.96	0.97	1.10	0.99	0.98
1,3,8-Naphthalenertriol	ME117281	0.98	0.99	1.08	0.99	0.98
Sodium chlorate	ME117637	0.97	0.98	1.08	0.99	0.99
Montanin A	ME117540	0.96	0.91	1.11	1.05	0.96
7,10,13,16-Docosatetraenoylethanolamine	ME117348	0.92	0.96	1.11	1.05	0.96
Dicyclohexylamine	ME117436	0.95	0.97	1.09	1.03	0.97
Ethyl (R)-3-hydroxyhexanoate	ME117452	0.98	0.95	1.05	1.10	0.92
Pyridoxal_1	ME117624	1.02	1.00	1.00	1.07	0.92
Tropine_2	ME117661	1.04	0.99	1.01	1.03	0.94
Buddledin A_1	ME117387	0.98	0.99	0.96	1.03	1.03
Buddledin A_2	ME117388	0.96	0.97	0.96	1.07	1.03
alpha-Ionone	ME117361	0.98	0.96	0.94	1.10	1.00
Anandamide_1	ME117367	1.01	0.92	0.96	1.08	1.01
Botrydial	ME117385	1.02	1.06	0.96	0.96	1.00
Methamphetamine_1	ME117533	1.01	1.02	1.01	0.94	1.02
2,4-Dichlorobenzoate	ME117297	1.03	0.98	0.96	1.01	1.02
Cyclohexane-1,3-dione_1	ME117414	1.05	0.98	0.95	0.98	1.03
Ephedrine_1	ME117450	1.01	0.96	0.96	0.98	1.08
1-Octanal_1	ME117288	1.01	0.96	1.01	0.98	1.05
3-(2-Hydroxyphenyl)propanoate_1	ME117308	1.02	0.97	0.99	0.99	1.03
12-Hydroxydodecanoic acid	ME117285	0.92	1.02	1.01	1.04	1.00
Phendimetrazine_2	ME117594	0.94	1.04	1.00	1.00	1.01
3-Butylidene-7-hydroxyphthalide	ME117317	0.96	0.94	1.07	1.03	1.01
(-)-Menthyl acetate_1	ME117262	0.97	0.95	1.02	1.04	1.01
Oxidized Latia luciferin	ME117584	0.99	0.95	1.01	1.04	1.00
Vermelone_1	ME117680	0.97	0.98	1.03	1.00	1.01
(-)-Limonene_1	ME117259	1.01	0.96	1.04	1.01	0.99
1-Octanal_2	ME117289	0.99	0.96	1.04	1.02	0.99
2-Ethylhexyl phthalate_1	ME117301	0.99	0.95	1.03	1.01	1.00
Sulcatone	ME117641	1.04	0.98	1.00	0.98	1.00
3-(2-Hydroxyphenyl)propanoate_2	ME117309	1.04	1.00	0.98	1.01	0.97
cis-1,2-Dihydronaphthalene-1,2-diol_1	ME117401	1.03	0.99	0.99	1.01	0.99
4-Aminobiphenyl	ME117329	0.98	1.03	1.00	1.00	0.99
Amphetamine	ME117366	0.96	1.01	1.01	1.02	0.99
(-)-Menthyl acetate_2	ME117263	0.98	1.00	1.01	1.03	0.98
Methyl 2-diazoacetamidohexonate	ME117535	0.98	0.99	1.01	1.02	0.99
Phenmetrazine	ME117595	0.96	0.99	1.00	1.02	1.01
Phytuberin	ME117606	0.97	1.02	0.99	1.01	1.01
Tributyl phosphate	ME117653	0.96	1.01	0.99	1.02	1.01
Benzyl alcohol	ME117379	1.00	1.01	0.99	1.02	0.98
Bis(2-chloro-1-methylethyl)ether	ME117383	1.01	1.01	0.97	1.02	0.99
Tyr-OEt	ME117671	1.00	1.01	0.96	1.03	1.00
Precocene II_1	ME117617	0.99	1.01	1.00	0.98	1.02
1-Octanal_3	ME117290	1.00	1.00	1.01	0.98	1.01
(-)-Carvone	ME117257	0.99	1.01	1.02	0.97	1.01
Canthin-6-one	ME117392	1.02	1.01	1.00	1.00	0.98
trans-Cinnamate_1	ME117651	1.02	1.00	1.01	0.99	0.99
Cycloheptanecarboxylic acid	ME117413	1.01	1.02	0.99	0.98	1.00
Tos-Lys-CH2Cl	ME117650	1.01	1.02	0.99	0.99	1.00
Xanthan	ME117683	1.00	1.02	1.02	0.99	0.99
3-(Dimethylamino)propyl benzoate	ME117311	1.00	1.01	1.00	1.00	1.00
alpha-Sinensal	ME117365	1.00	1.02	1.00	1.00	1.00
6-endo-Hydroxycineole_1	ME117345	1.00	1.00	1.01	1.00	1.00
Dodecanamide	ME117446	0.99	1.00	1.00	1.00	1.00
p-Aminobenzamidine dihydrochloride	ME117585	1.00	0.99	1.01	1.01	0.99
Bakkenolide A	ME117376	1.01	0.98	0.99	1.01	1.00
Hercynine	ME117477	1.01	0.99	1.00	1.00	1.00
Desflurane	ME117429	1.00	0.99	1.00	0.99	1.02
(-)-Menthone	ME117261	1.00	0.99	0.98	1.00	1.02
Glycerone phosphate	ME117470	1.00	1.00	0.99	1.00	1.01
1,2,6-Hexanetriol	ME117279	0.99	1.00	0.99	1.01	1.01
3,4-Methylenedioxymethamphetamine	ME117314	0.99	1.01	0.98	1.01	1.01
Geosmin	ME117464	1.00	1.06	1.00	1.01	0.94
Cyclohexane-1,3-dione_3	ME117416	1.02	1.02	1.03	1.00	0.94
Zingerone	ME117685	1.01	1.03	1.00	1.00	0.96
gamma-Coniceine	ME117461	0.96	1.00	1.04	1.05	0.95
Cerulenin_1	ME117398	0.98	1.03	1.01	1.03	0.96
Tyramine	ME117670	0.97	1.01	1.01	1.05	0.96
Ethyl 3-(N-butylacetamido)propionate	ME117453	0.95	1.02	1.05	1.01	0.97
4-Heptyloxyphenol	ME117331	0.98	1.00	1.04	1.00	0.98
Phendimetrazine_1	ME117593	0.99	1.00	1.03	1.01	0.96
2-Ethylhexyl phthalate_2	ME117302	0.86	1.07	0.96	1.00	1.09
Di(2-ethylhexyl) adipate	ME117430	0.90	0.92	1.06	1.08	1.02
Undecanoic acid_1	ME117672	0.87	0.91	1.03	1.09	1.06
Tropinone_1	ME117662	0.92	0.97	1.00	1.02	1.07
2,4-Dihydroxypteridine	ME117298	0.86	0.94	1.00	1.04	1.14
Octanoic acid_2	ME117572	0.88	0.94	1.00	1.04	1.11
Pentalenene	ME117591	0.94	0.93	1.15	1.10	0.88
Tecostanine	ME117643	0.75	1.13	1.10	1.08	0.94
(2E,6E)-Farnesol	ME117272	0.90	1.10	1.10	1.08	0.85
Pyridoxine_2	ME117629	0.88	1.12	1.10	1.03	0.89
Mexiletine	ME117538	0.91	1.10	1.00	1.14	0.86
1-Phenylethylamine	ME117291	0.82	1.13	1.05	1.14	0.86
Diisopropyl phosphate	ME117441	0.86	1.07	1.07	1.15	0.85
N-Trimethyl-2-aminoethylphosphonate_1	ME117565	0.65	0.83	1.24	1.14	1.09
O-Decanoyl-L-carnitine_2	ME117575	0.73	0.88	1.21	1.19	0.97
Hexadecasphinganine	ME117478	0.61	1.06	1.08	0.94	1.26
(6S,9R)-Vomifoliol	ME117274	0.76	1.01	1.08	1.05	1.08
cis-1,2-Dihydronaphthalene-1,2-diol_4	ME117404	0.75	1.07	1.05	0.94	1.16
Latia luciferin_2	ME117494	0.86	0.99	1.49	0.69	1.03
N-Phenyl-1-naphthylamine_2	ME117563	1.05	0.88	1.70	0.68	0.80
Taurine	ME117642	1.02	0.93	1.62	0.64	0.88
Naphthalene-1,2-diol	ME117549	1.04	0.85	1.41	0.79	0.96
Diethanolamine	ME117437	0.97	0.88	1.53	0.75	0.94
L-Methionine S-oxide_2	ME117514	1.04	0.85	1.53	0.80	0.86
L-Valine_2	ME117527	1.08	0.81	1.44	0.99	0.73
Diacetyl_1	ME117431	1.14	0.78	1.46	0.84	0.84
Fagomine	ME117458	1.19	0.78	1.42	0.84	0.84
p-Cymene_2	ME117587	0.94	0.90	1.31	0.83	1.05
4-Aminobutanoate	ME117330	1.03	0.89	1.29	0.92	0.91
L-Tryptophanamide_1	ME117522	1.11	0.94	1.21	0.93	0.85
Ethyl isovalerate_2	ME117455	0.93	1.09	1.30	0.62	1.11
S-Allyl-L-cysteine	ME117635	1.03	1.16	1.16	0.60	1.10
Nona-2,6-dienal	ME117559	1.16	1.23	1.23	0.80	0.69
Phenylacetaldehyde_2	ME117598	0.92	1.29	1.42	0.66	0.81
D-2-Hydroxyisocaproate_2	ME117422	1.06	1.11	1.42	0.66	0.85
L-Glutamine	ME117502	1.08	1.08	1.38	0.79	0.76
1-Aminocyclopropane-1-carboxylate	ME117286	1.58	0.61	1.53	0.75	0.66
Benzyl (2R,3S)-2-methyl-3-hydroxybutanoate	ME117378	1.41	0.77	1.35	0.91	0.65
L-Arginine	ME117490	1.47	0.73	1.29	0.75	0.84
L-Glutamate	ME117501	1.51	0.74	1.34	0.77	0.73
1,2,3-Trihydroxybenzene	ME117278	1.32	0.69	1.26	0.74	1.03
Creatine	ME117409	1.27	0.78	1.27	0.81	0.93
L-Cysteate	ME117499	1.30	0.75	1.16	0.87	0.95
Capsi-amide_2	ME117394	1.13	0.76	1.14	0.92	1.05
Mephentermine_2	ME117532	1.07	0.71	1.29	0.80	1.15
Uracil_1	ME117674	1.35	0.89	1.05	0.74	1.02
Uridine	ME117677	1.40	0.84	1.09	0.69	1.03
p-Cymene_3	ME117588	1.25	1.04	1.04	0.74	0.99
Zoxazolamine	ME117686	1.31	1.04	1.13	0.57	1.03
Piperidine_2	ME117608	1.34	0.86	1.36	0.65	0.89
Octadecanamide	ME117570	1.42	0.96	1.24	0.70	0.78
11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide	ME117284	1.29	1.03	1.26	0.77	0.74
4-Oxoproline_1	ME117338	1.21	1.01	1.31	0.79	0.77
4-Methylene-L-glutamine	ME117337	1.29	0.73	1.91	0.48	0.75
Triethanolamine	ME117654	1.56	0.50	1.91	0.57	0.62
L-Histidine	ME117503	1.11	0.56	1.40	0.92	1.02
4-Hydroxy-2-butynal_1	ME117332	1.35	0.63	1.49	0.65	0.96
L-Methionine S-oxide_1	ME117513	1.27	0.63	1.51	0.72	0.94
Phenylpyruvate	ME117604	1.26	0.46	1.51	0.73	1.08
L-Phenylalanine	ME117517	1.24	0.57	1.46	0.75	1.02
L-Tyrosine	ME117524	1.21	0.55	1.50	0.75	1.04
L-Citrulline	ME117498	1.19	0.71	1.84	0.64	0.75
L-Proline	ME117518	1.18	0.74	1.73	0.67	0.79
L-Tryptophan	ME117521	1.19	0.77	1.69	0.67	0.80
3-Buten-1-amine	ME117316	1.27	0.72	1.64	0.71	0.77
L-Leucine_2	ME117508	1.31	0.68	1.53	0.74	0.82
L-Leucine_1	ME117507	1.30	0.70	1.56	0.73	0.80
Piperidine_1	ME117607	1.30	0.69	1.59	0.73	0.79
(E)-4-(Trimethylammonio)but-2-enoate_1	ME117275	1.20	0.71	1.54	0.84	0.79
L-Alanine	ME117489	1.18	0.68	1.61	0.77	0.84
4-Hydroxybutanoic acid	ME117334	1.26	0.51	1.68	0.81	0.82
7,8-Diaminononanoate	ME117349	1.22	0.49	1.78	0.74	0.85
L-Kynurenine	ME117506	1.18	0.58	1.92	0.67	0.76
N-Acetylornithine	ME117547	1.32	0.47	1.88	0.66	0.78
2,3-Dimethylmaleate	ME117296	1.51	0.35	1.41	0.58	1.19
1-Hydroxy-2-methyl-2-butenyl 4-diphosphate	ME117287	1.63	0.56	1.54	0.36	1.03
1-Pyrroline-2-carboxylate_2	ME117293	1.28	0.72	1.56	0.50	1.04
Urate	ME117676	1.35	0.65	1.60	0.50	1.00
3-Methyl-2-oxobutanoic acid_1	ME117321	1.58	0.63	1.44	0.53	0.93
Cytidine	ME117419	1.47	0.65	1.43	0.61	0.93
Cytosine	ME117420	1.53	0.66	1.36	0.61	0.94
Bis(1-aziridinyl)morpholinophosphine sulfide_1	ME117381	0.96	0.41	1.60	1.11	0.91
Diacetyl_3	ME117433	1.02	0.71	1.53	0.63	1.16
L-Threonine	ME117520	1.02	0.65	1.67	0.70	1.02
Nitramine	ME117555	0.87	0.65	1.76	0.74	1.03
Bis(2-chloroethyl)ether	ME117384	0.58	1.04	1.71	0.71	1.01
Auricularine_2	ME117371	0.62	0.95	1.61	0.94	1.04
Tropinone_4	ME117665	0.69	0.85	1.84	0.89	0.80
Dihydro-4,4-dimethyl-2,3-furandione	ME117438	0.73	0.82	1.74	0.80	0.95
L-Rhamnose	ME117519	0.72	0.81	1.73	0.84	0.95
Catechol	ME117397	0.77	0.84	1.62	0.84	0.96
2-Aceto-2-hydroxybutanoate	ME117299	0.73	0.82	1.68	0.86	0.95
Mannitol	ME117530	0.75	0.81	1.66	0.86	0.96
Auricularine_4	ME117373	1.40	0.10	0.32	1.42	1.40
Pirbuterol_2	ME117615	1.36	0.60	0.67	1.27	1.03
Piperidine_5	ME117611	1.36	0.87	0.41	0.53	1.77
Tussilagine	ME117669	1.42	0.75	0.39	0.95	1.42
Glutathione	ME117468	0.61	0.68	0.32	1.08	1.67
L-Octanoylcarnitine_2	ME117516	0.49	1.00	0.86	0.93	1.62
p-Cymene_4	ME117589	1.16	0.47	0.68	0.92	1.66
(+)-Bornane-2,5-dione_2	ME117266	0.82	0.81	0.66	0.66	1.93
(+)-Bornane-2,5-dione_3	ME117267	0.97	0.87	0.86	0.69	1.57
D-2-Hydroxyisocaproate_1	ME117421	0.94	0.81	0.72	0.76	1.68

Factors:

F1	Main factor (1 to 5):-
F2	Main factor (1 to 5):1
F3	Main factor (1 to 5):2
F4	Main factor (1 to 5):3
F5	Main factor (1 to 5):5

Data matrix