Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003053)

(Analysis AN005006)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7
Mannitol	ME796552	0.09	0.92	1.02	0.54	0.23	1.16	4.72
N-Gluconyl ethanolamine phosphate	ME796601	NA	0.10	0.28	0.43	0.35	0.24	5.49
gamma-Glutamyl-gamma-aminobutyraldehyde_3	ME796464	0.18	0.44	0.72	0.33	0.76	3.62	0.95
Valyl-Hydroxyproline	ME796416	0.23	0.22	1.11	0.30	0.57	4.10	1.18
Valyl-Hydroxyproline_2	ME796460	0.24	0.45	0.82	0.44	0.62	4.26	0.77
Prenyl-L-cysteine	ME796104	0.61	3.10	0.35	1.25	0.45	0.04	1.26
L-Threonine	ME796442	0.53	3.75	0.69	0.85	0.28	0.22	1.54
L-Threonine_2	ME796076	0.47	3.37	0.53	0.68	0.67	0.56	1.27
N-(2-hydroxyicosanoyl)-phytosphingosine_1	ME795815	4.94	0.39	0.12	1.01	0.28	0.11	0.51
N-(2-hydroxyoctadecanoyl)-phytosphingosine_1	ME795813	4.50	0.38	0.13	0.71	0.14	0.10	0.44
Hexadeceylamin	ME795805	5.16	0.36	0.31	0.28	0.23	0.23	0.54
Polypropylene glycol (m w 1,200-3,000)	ME795803	4.69	0.89	0.53	0.19	0.15	0.14	0.73
Sinapoylspermine	ME795845	1.96	NA	NA	0.67	0.61	NA	0.42
N-(11Z,14Z-eicosadienoyl)-ethanolamine	ME795802	3.14	0.85	0.30	0.30	0.26	0.26	0.50
Tadalafil	ME795796	2.34	0.70	0.31	NA	NA	NA	0.54
LysoPC(18:1)_1	ME795801	2.78	0.77	0.23	0.13	NA	NA	0.26
Tetradecanoylcarnitine	ME795793	2.61	0.70	0.26	NA	NA	NA	0.23
N-(2-hydroxyhexadecanoyl)-phytosphingosine_1	ME795798	1.60	0.42	0.50	NA	0.40	0.29	NA
Avenalumin III	ME795797	1.81	0.65	0.37	NA	NA	NA	0.39
Propylene glycol mono- and diesters of fats and fatty acids	ME795794	1.74	0.97	0.79	NA	NA	NA	0.33
[FA (18:1)] 9Z-octadecenamide	ME796330	2.22	0.80	0.64	1.17	0.86	0.73	0.45
Palmiticamide	ME795888	2.43	0.79	0.48	1.30	0.82	0.50	0.58
FA oxo(14:1) cyclopentanebutanoic acid	ME795872	2.29	1.17	0.72	1.05	1.01	0.64	0.75
Fasoracetam	ME795866	2.40	1.12	0.70	1.01	0.80	0.79	0.84
[PR] (+)-exo-5-Hydroxycamphor	ME795868	2.33	1.10	0.73	1.01	0.80	0.75	0.85
N-(6-Aminohexanoyl)-6-aminohexanoate	ME796332	2.06	1.01	0.47	1.15	0.68	0.68	0.93
[LysoPC(14:0)] 1-tetradecanoyl-sn-glycero-3-phosphocholine	ME795889	2.28	0.73	0.64	1.22	0.63	0.70	0.73
LysoPC(18:0)	ME795871	2.35	0.99	0.55	1.06	0.68	0.58	0.72
Dehydrophytosphingosine_1	ME795891	2.23	1.07	0.75	1.21	0.67	0.60	0.80
N-Hexadecanoylpyrrolidine	ME795883	2.11	0.92	0.69	1.07	0.73	0.65	0.78
2-Ethylhexyl phthalate_1	ME795870	2.31	0.83	0.56	1.03	1.06	0.83	0.74
3-Ketosphingosine	ME795846	2.42	0.92	0.65	0.83	0.89	0.57	0.63
Linoleamide	ME795863	2.44	0.73	0.55	0.99	0.95	0.66	0.57
Furohyperforin	ME795858	2.36	0.65	0.73	0.93	0.70	0.86	0.70
PA(O-36:5)	ME795833	2.38	0.91	0.81	0.69	0.72	0.77	0.64
3-Hydroxyhexadecadienoylcarnitine	ME795822	2.20	0.86	0.68	0.72	0.82	0.63	0.65
PS(35:0)	ME795854	2.28	0.87	0.76	0.85	0.73	0.74	0.71
SM(d34:1)	ME795862	2.22	1.00	0.76	0.90	0.74	0.70	0.57
6-Hydroxypseudooxynicotine_2	ME795826	3.04	1.11	0.57	0.77	0.78	0.71	0.66
6-Hydroxypseudooxynicotine_1	ME795853	2.61	1.30	0.50	0.94	0.68	0.83	0.81
L,L-Cyclo(leucylprolyl)	ME795865	2.67	1.05	0.51	1.10	0.70	0.71	0.96
LysoPC(16:0)	ME795859	2.61	0.85	0.55	1.04	0.61	0.61	0.65
LysoPC(18:1)	ME795867	2.58	0.87	0.53	1.09	0.61	0.58	0.67
LysoPC(16:1)	ME795864	2.64	0.75	0.58	1.07	0.60	0.61	0.67
[PC(18:3)]	ME795861	2.62	0.82	0.60	1.06	0.54	0.56	0.72
LysoPE(18:0)	ME796312	2.52	0.84	0.64	0.97	0.62	0.63	0.71
N-(9Z,12Z-octadecadienoyl)-ethanolamine	ME796314	2.47	0.71	0.68	0.99	0.67	0.66	0.76
decanamide	ME795838	2.48	1.11	0.78	0.77	0.77	0.76	0.94
Perlolyrine	ME795827	2.56	0.98	0.81	0.65	0.61	0.58	0.75
SM(d40:1)	ME795829	2.57	1.04	0.71	0.68	0.61	0.66	0.63
SM(d41:1)	ME795820	2.62	1.07	0.70	0.62	0.54	0.62	0.76
Pyridoxamine	ME795835	2.59	1.12	0.72	0.76	0.63	0.80	0.78
SM(d39:1)	ME795840	2.39	1.09	0.66	0.75	0.63	0.70	0.70
1-4-beta-D-Glucan	ME795814	2.91	0.76	0.64	0.51	0.54	0.63	1.00
Pipericine	ME795817	2.90	1.06	0.56	0.60	0.53	0.54	0.75
10,11-dihydro-20-trihydroxy-leukotriene B4	ME796311	2.71	0.98	0.49	0.91	0.45	0.63	0.79
Ile-Ile-Pro-Pro	ME796310	2.76	0.87	0.50	0.81	0.56	0.64	0.81
Sphinganine	ME795837	2.69	0.97	0.59	0.81	0.55	0.55	0.79
Ile-Val-Pro-Ser	ME795818	2.80	0.88	0.54	0.65	0.47	0.74	0.72
PS(O-33:1)	ME795819	2.75	0.87	0.55	0.64	0.65	0.73	0.75
Sambutoxin	ME795831	2.85	0.83	0.62	0.79	0.40	0.72	0.72
LysoPE(18:1)	ME796307	2.89	0.84	0.61	0.73	0.57	0.61	0.68
LysoPE(18:2)	ME796308	2.79	0.79	0.63	0.76	0.60	0.67	0.69
FA oxo(21:0)	ME795848	2.81	0.54	0.33	0.97	0.36	NA	0.60
PC(18:2)	ME795856	2.90	0.72	0.64	1.09	0.72	0.56	1.14
Cholesterolglucuronide	ME795830	2.95	0.97	0.39	0.81	0.64	0.41	0.78
Collettiside I	ME795842	2.92	0.90	0.38	0.97	0.64	0.39	0.73
Omphalotin A	ME795839	3.10	0.82	0.37	0.97	0.57	0.40	0.68
Nigericin	ME795844	3.03	0.82	0.40	1.02	0.52	0.41	0.73
soyasapogenol B-3-O-β-glucuronide	ME795847	3.00	0.84	0.38	1.03	0.56	0.41	0.70
N-(2-hydroxypentadecanoyl)-phytosphingosine	ME795824	3.27	1.02	0.53	0.81	0.39	0.16	0.75
Octadecanamide	ME795816	3.30	0.99	0.43	0.68	0.45	0.40	0.47
1-(8-[3]-ladderane-octanoyl)-2-(8-[3]-ladderane-octanyl)-sn-glycero-3-phospho-(1^-sn-glycerol)	ME795825	3.38	0.88	0.34	0.85	0.48	0.36	0.62
PG (14:0)	ME795823	3.31	0.89	0.36	0.81	0.54	0.32	0.68
Tributyl phosphate	ME795811	3.26	0.49	0.66	0.45	0.48	0.75	0.88
FA hydroxy(20:1)	ME796305	3.16	0.79	0.44	0.63	0.57	0.63	0.72
vernolate	ME796309	3.14	0.63	0.61	0.87	0.62	0.70	0.89
Asn-Asp-Gln-Tyr_1	ME796315	2.54	1.42	0.50	1.02	0.43	0.19	0.87
Nicotinate	ME796317	2.68	1.48	0.32	1.17	0.46	0.13	0.98
Asn-Asn-Ser-Tyr	ME796342	1.92	1.14	0.48	1.19	0.42	NA	0.80
PG (25:0)	ME795892	2.13	1.27	0.47	1.17	0.66	0.33	0.96
N-(11Z-eicosaenoyl)-ethanolamine	ME795806	2.40	1.31	0.52	0.29	0.27	0.34	0.54
2-Hydroxy-24-keto-octacosanolide	ME795849	2.18	0.82	0.46	0.77	0.46	NA	0.68
Dehydroxymethylflazine	ME795834	1.99	1.01	NA	0.58	0.30	NA	0.47
Propanoyl phosphate	ME796302	3.50	1.31	0.35	0.20	0.26	0.13	1.32
Octylamine	ME795808	3.62	1.29	0.61	0.36	0.30	0.39	0.88
phenoxy radical VII	ME796304	3.30	1.24	0.58	0.41	0.38	0.30	0.73
Harman	ME795807	3.96	0.72	0.46	0.39	0.27	0.43	0.70
Trp-Cys-His_1	ME795809	3.84	0.56	0.62	0.45	0.53	0.54	0.41
N-(2-hydroxyicosanoyl)-phytosphingosine	ME795855	3.97	0.42	0.14	1.48	0.23	0.11	0.85
FA oxo(18:0)	ME796306	3.94	0.67	0.50	0.95	0.52	0.35	0.73
N-(2-hydroxynonadecanoyl)-phytosphingosine	ME795828	3.78	0.53	0.32	0.98	0.41	0.30	0.57
N-(2-hydroxyhexadecanoyl)-phytosphingosine	ME795841	3.36	0.80	0.38	1.09	0.42	0.16	0.74
N-(2-hydroxyoctadecanoyl)-phytosphingosine	ME795843	3.62	0.66	0.25	1.20	0.37	0.14	0.66
N-Nonanoylglycine	ME796321	1.75	NA	NA	0.56	0.31	0.86	1.48
N-Decanoylglycine	ME796386	1.85	0.72	0.74	0.84	0.50	0.69	2.77
N-Undecanoylglycine	ME796331	1.65	0.56	0.68	0.88	0.52	0.69	3.29
N-Undecanoylglycine_1	ME795799	2.37	1.18	0.51	NA	0.88	0.54	2.06
Glutarylcarnitine	ME795887	1.68	0.96	0.48	0.89	0.94	0.93	2.08
Triethanolamine	ME795879	1.80	0.87	0.64	0.66	0.44	1.35	1.83
sn-glycero-3-Phosphocholine	ME796580	0.09	0.42	0.42	2.39	2.28	0.67	1.65
2-Amino-4-hydroxy-6-hydroxymethyl-7,8-dihydropteridine	ME795812	2.29	0.70	2.30	0.36	0.28	0.63	0.25
PG(18:4(6Z,9Z,12Z,15Z)/18:4(6Z,9Z,12Z,15Z))	ME795869	1.49	0.70	1.82	0.66	0.72	1.08	0.75
PGP(36:5)_1	ME795810	1.39	0.57	2.33	0.18	0.31	1.29	0.89
Uridine	ME796328	0.23	0.07	2.60	0.12	1.80	0.84	1.45
N-Formimino-L-glutamate_2	ME796488	0.05	0.04	3.45	0.11	0.16	1.42	1.72
Pantothenate_1	ME796368	0.11	0.38	2.99	0.09	1.14	1.34	1.25
PGP(36:5)	ME795852	0.43	0.43	3.08	0.15	0.34	1.46	1.16
Urocanate	ME796363	0.47	0.58	2.91	0.35	0.35	1.86	1.27
Castanospermine_2	ME796038	0.56	1.25	2.63	0.61	0.65	0.56	1.35
L-Alanine	ME796521	0.15	1.08	2.25	0.58	1.05	1.01	1.82
L-Serine	ME796354	0.36	0.90	2.19	0.25	0.54	1.10	1.88
Thienodihydropyridinium	ME796532	0.10	0.67	2.25	0.34	0.50	1.29	1.85
(R)-2,3-Dihydroxy-3-methylpentanoate	ME796303	0.47	1.77	1.44	0.03	0.94	1.74	1.47
5-Valerolactone	ME795800	0.72	1.07	1.14	NA	0.77	1.23	0.91
Ala-Gly-His	ME796301	0.25	1.68	1.18	NA	0.78	1.01	1.13
Ala-Asp-Pro-Arg	ME796056	0.56	1.56	0.96	0.53	0.45	1.14	1.93
Cinnamaldehyde	ME795915	1.04	1.65	1.24	0.47	0.39	1.35	1.72
His-Ile-Ile-Phe	ME796068	0.28	1.43	1.01	0.25	0.17	1.16	1.99
Dihydro-4,4-dimethyl-2,3-Furandione	ME795963	0.32	1.00	1.21	0.22	0.12	0.96	1.85
L-Rhamnofuranose	ME796369	0.22	1.15	1.29	0.12	0.11	1.20	2.15
2-Oxobutanoate	ME796623	NA	0.84	0.91	NA	NA	0.84	1.54
Lappaconitine	ME796266	NA	1.40	0.89	0.52	0.35	1.16	1.51
Ile-Lys-Trp-Pro	ME796032	0.37	1.16	0.97	0.38	0.15	1.06	1.44
Phe-Phe-Arg	ME796271	NA	1.13	0.98	0.22	0.20	1.09	1.52
D-Ribitol 5-phosphate	ME796360	0.65	1.28	1.68	0.48	0.39	0.53	2.32
alpha-Methylstyrene	ME795968	0.63	1.47	1.33	0.44	0.34	1.55	2.31
Hymenoflorin	ME796318	0.41	1.67	1.07	0.18	0.17	1.13	2.82
2-Amino-5-phosphopentanoic acid_1	ME795984	0.46	1.13	1.15	0.25	0.37	1.18	2.55
alpha-Methylstyrene_1	ME795897	0.38	1.30	1.43	0.21	0.14	1.34	2.59
Indan-1-ol	ME795932	0.16	1.28	1.49	0.10	0.10	1.38	2.67
Toxin T2 tetrol	ME796346	0.15	1.29	1.53	0.10	0.09	1.38	2.64
5^-Phosphoribosyl-N-formylglycinamide	ME796422	0.92	1.20	0.27	1.21	0.21	0.05	2.90
Asn-Asp-Gln-Tyr	ME796437	1.00	1.49	0.55	1.57	0.49	0.17	1.97
Phenylpyruvate	ME796509	0.43	1.83	1.17	1.33	0.59	0.23	2.57
L-beta-aspartyl-L-glutamicacid	ME796490	0.15	0.48	1.51	0.38	0.90	1.19	2.87
Phosphoenolpyruvate	ME796450	0.23	0.35	1.11	0.39	1.08	0.97	3.49
L-Phenylalanine_2	ME796529	0.18	0.59	0.90	0.78	0.90	0.97	3.87
N-Formyl-L-glutamate	ME796489	0.22	0.73	0.75	0.54	0.63	0.82	4.09
Ala-Asp-Gly	ME796496	0.27	1.00	0.94	0.71	0.64	0.99	2.94
Gamma-Glutamylglutamine	ME796481	0.26	0.73	1.04	0.61	0.71	0.93	3.29
4-Aminobutanal	ME795997	0.71	1.07	1.08	0.55	0.55	1.07	2.92
2-Amino-5-phosphopentanoic acid	ME796006	0.51	0.92	0.93	0.21	0.36	1.04	3.16
D-Apiitol	ME796374	0.65	0.81	0.81	0.55	0.50	0.79	3.34
L-Rhamnofuranose_1	ME796016	0.30	0.81	1.08	0.18	0.13	0.73	3.38
Muscarine	ME796001	0.16	1.04	1.03	0.13	0.28	1.20	3.88
Potassium 2-(1^-ethoxy) ethoxypropanoate	ME796361	0.16	0.85	0.86	0.09	0.49	1.14	3.77
Tauropine	ME796473	0.62	0.53	0.70	1.33	0.75	0.55	3.04
FA hydroxy(4:0) N-(3S-hydroxy-butanoyl)-homoserine lactone	ME796486	0.57	0.95	0.80	1.39	0.61	0.38	2.73
Gibberellin A20	ME796190	0.22	0.77	0.78	1.72	0.68	0.59	2.66
ADP	ME796570	0.10	0.69	0.91	1.36	1.05	0.95	3.24
UMP	ME796519	0.32	0.85	0.78	1.15	0.79	0.85	2.68
L-Asparagine	ME796169	0.20	0.68	0.98	0.92	0.97	1.03	2.63
L-beta-aspartyl-L-alanine_4	ME796537	0.25	0.76	0.87	0.88	0.89	0.84	2.76
[Fv Tetramethoxy(4:0)] 4,6,2^,4^-Tetramethoxychalcone 2^-beta-glucoside	ME796199	0.11	1.09	0.93	1.20	0.79	0.47	2.87
UDP-N-acetyl-D-glucosamine	ME796547	0.19	0.81	0.97	1.04	0.70	0.72	3.09
Toxyl angelate	ME796201	0.26	0.60	1.11	1.60	0.65	0.63	2.18
Orthophosphate	ME796250	NA	0.28	0.60	1.83	0.93	0.57	2.04
sn-Glycerol 3-phosphate	ME796586	0.02	0.28	0.64	2.15	1.13	0.72	2.41
N-Formyl-L-methionine	ME796583	0.05	2.72	0.03	2.65	0.42	0.09	1.05
Glycerone phosphate	ME796568	0.23	1.52	0.24	3.01	0.22	0.16	1.82
2-amino-3,7-dideoxy-D-threo-hept-6-ulosonate	ME796584	0.08	1.30	0.29	2.58	0.84	0.33	1.15
γ-thiomethyl glutamate_2	ME796598	NA	1.66	0.10	2.56	0.62	0.14	0.90
gamma-L-Glutamyl-D-alanine_3	ME796565	0.22	1.81	1.05	1.86	0.46	0.55	1.06
Thiomorpholine 3-carboxylate	ME796168	0.44	1.83	0.44	2.00	0.89	0.42	0.97
γ-thiomethyl glutamate	ME796549	0.39	1.97	0.41	2.23	0.42	0.36	1.29
L-beta-aspartyl-L-threonine_1	ME796225	NA	1.43	1.08	1.13	0.55	0.41	1.33
a Cysteine adduct	ME796259	NA	1.30	0.50	1.18	0.37	NA	1.12
Brugine	ME796226	NA	1.25	0.78	1.10	0.71	NA	1.21
Epigallocatechin 3-O-caffeate	ME796605	NA	1.35	NA	1.27	0.24	NA	0.68
dADP	ME796599	NA	0.66	0.47	1.08	NA	NA	1.52
Epigallocatechin 3-O-caffeate_2	ME796610	NA	1.13	NA	1.02	0.15	NA	1.36
2-(Hydroxymethyl)-3-(acetamidomethylene)succinate	ME796191	0.77	0.61	NA	1.53	0.68	NA	1.32
3-Methylguanine	ME796074	0.90	0.92	NA	1.26	NA	NA	0.62
allylcysteine	ME796017	1.24	1.16	0.50	1.13	NA	NA	0.64
Glu-Thr-Thr	ME796108	0.79	2.04	0.42	1.66	0.58	0.16	1.18
L-2-Aminoadipate	ME796419	0.97	2.14	0.59	1.24	0.88	0.62	1.42
Calystegin B2_2	ME796472	0.84	1.94	0.44	1.80	1.02	0.58	1.11
L-Leucine	ME796430	1.13	1.76	0.73	1.59	0.98	0.46	1.12
(2-Butylbenzofuran-3-yl)(4-hydroxyphenyl)ketone	ME796184	0.48	2.05	0.54	0.76	1.14	0.50	1.20
N-Acetylneuraminate	ME796514	0.39	1.74	0.89	1.36	0.89	0.40	1.43
Ala-Gly-Ser_2	ME796119	0.54	1.86	0.62	1.33	1.12	0.39	1.20
Ile-Ser-Ser	ME796178	0.51	1.76	0.43	1.36	1.22	0.49	0.97
Glu-Glu_3	ME796171	0.81	1.93	0.54	0.99	0.65	NA	0.90
L-beta-aspartyl-L-threonine	ME796380	1.59	2.09	0.21	1.43	0.45	0.07	1.21
N-Formiminoglycine	ME796025	1.30	1.69	0.33	1.27	0.45	NA	0.93
L-isoleucyl-L-proline_1	ME795917	1.49	0.84	0.63	0.90	2.04	0.91	0.92
alpha,alpha^-Trehalose 6-phosphate	ME796383	1.06	0.54	0.90	0.96	1.78	0.65	1.15
Ile-Ile-Ile-Pro	ME796010	1.07	0.71	0.67	0.91	1.70	0.90	0.86
N-Acetyl-L-phenylalanine_1	ME796366	1.04	1.28	0.60	0.80	1.34	0.73	1.28
Arg-Ser-Ser-Tyr	ME796156	0.43	1.01	0.52	1.30	2.06	0.48	1.07
N-Acetylmethionine	ME796429	0.80	1.45	0.23	1.12	1.89	0.40	1.16
N-Acetylmethionine_2	ME796061	0.77	1.47	0.34	0.99	2.02	0.46	0.93
N-Acetyl-L-phenylalanine	ME796425	0.82	1.23	0.75	1.09	2.10	0.72	1.04
Vinylacetylglycine_2	ME796049	0.90	1.19	0.63	1.09	1.90	0.65	1.27
[FA amino(14:0)] 2-amino-tetradecanoic acid	ME796005	1.85	0.80	0.48	1.54	1.54	0.64	0.76
Trp-Cys-His	ME795882	1.50	1.32	1.19	0.75	1.14	1.02	0.33
Loxtidine	ME795890	1.82	0.97	0.64	0.99	0.78	0.67	NA
Ximaosteroid D	ME795921	1.61	1.07	0.58	0.98	0.80	0.76	NA
Putreanine	ME795919	1.27	1.03	1.56	0.77	0.59	0.50	1.39
4-Aminobutanoate_1	ME796029	0.90	1.74	1.72	0.90	0.57	0.84	1.05
Calystegin B2	ME796417	0.56	1.80	1.69	0.70	0.75	0.79	1.26
Cys-Pro	ME795976	1.03	1.31	1.27	0.73	0.82	0.79	1.07
L-Histidinal	ME796101	0.92	1.42	1.53	0.62	0.71	0.54	1.12
Met-Ser	ME796424	0.64	1.61	1.22	0.85	0.70	0.89	1.11
Pantetheine 4^-phosphate	ME796411	0.75	1.38	1.28	0.92	0.84	0.81	1.03
N2-(D-1-Carboxyethyl)-L-lysine	ME796393	0.90	1.26	1.29	0.87	0.62	1.09	0.96
N6-(L-1,3-Dicarboxypropyl)-L-lysine	ME796484	0.56	1.39	1.23	0.68	0.75	1.16	1.01
Cytidine	ME796359	1.86	0.88	0.82	1.37	0.57	0.44	1.09
Thymine	ME796382	1.74	1.11	0.94	1.58	0.55	0.66	1.22
Biotin	ME796027	1.22	1.33	0.80	1.22	0.99	0.48	0.95
AMP-Mor	ME796019	1.26	1.29	0.81	1.18	0.74	0.67	1.06
Biotin_1	ME796012	1.22	1.35	0.86	1.06	0.85	0.66	1.00
4-(Trimethylammonio)but-2-enoate_2	ME796033	1.39	1.42	0.78	1.42	0.82	0.59	1.07
Rutamarin	ME796031	1.29	1.59	0.66	1.31	0.75	0.49	0.86
Guanine	ME796387	1.65	1.37	0.62	1.52	0.60	0.22	1.04
3^-amino-3^-deoxyadenosine	ME796063	1.24	1.34	0.70	1.60	0.73	0.29	1.13
Heliettin_2	ME796045	1.39	1.58	0.52	1.61	0.80	0.35	1.02
Riboflavin	ME795878	1.35	1.18	1.08	0.65	1.16	0.64	0.93
S-Acetylphosphopantetheine	ME796327	1.25	0.88	1.17	0.65	1.30	0.77	0.98
4-(Methylnitrosamino)-1-(3-pyridyl)-1-butanol	ME795952	1.11	0.87	1.52	0.74	0.67	1.21	1.25
Hydroxypropionylcarnitine	ME796378	0.98	0.92	1.49	0.87	1.05	0.94	1.08
DG(P-32:1)	ME795907	1.14	0.99	1.35	0.67	0.87	0.97	1.01
(1xi,3xi)-1,2,3,4-Tetrahydro-1-methyl-beta-carboline-3-carboxylic acid	ME796367	1.06	0.92	1.16	0.83	1.05	0.97	1.02
Asn-Asn-Asn-Asp	ME796372	1.06	0.88	1.28	0.86	0.87	0.97	1.11
Cuauhtemone	ME795995	1.76	1.26	0.70	1.37	1.33	0.57	0.63
Methyl (2E,6E)-(10R,11S)-10,11-epoxy-3,7,11-trimethyltrideca-2,6-dienoate	ME795974	1.71	1.08	0.62	1.21	1.20	0.52	0.54
7-(4-Hydroxy-3-methoxyphenyl)-5-methoxy-1-phenyl-3-heptanone	ME795977	1.75	1.05	0.76	1.25	0.85	0.46	0.83
[FA trimethyl(13:2)] tridecadienoic acid	ME795874	1.95	1.12	0.81	0.90	0.99	0.56	0.57
Ala-Cys-Pro-Arg	ME795945	1.82	0.85	0.66	1.19	1.10	0.68	0.61
5beta-Pregnane-3alpha,17alpha,20alpha-triol	ME795939	1.60	1.18	0.67	1.02	1.06	0.69	0.72
FA methyl(18:2)	ME795949	1.63	1.18	0.63	1.08	1.09	0.64	0.67
FA hydroxy(20:3)	ME796334	1.70	1.07	0.79	0.97	0.98	0.72	0.68
Hexadecasphinganine	ME795957	1.68	0.99	0.76	1.13	0.85	0.81	0.71
(+)-Prosopinine	ME796007	1.74	0.51	0.61	1.46	1.11	0.80	0.70
Formylfusarochromanone	ME796335	1.99	0.75	0.43	1.14	0.92	0.87	0.86
N-octadecanoyl-glycine	ME795885	2.00	0.74	0.52	1.05	1.06	0.87	0.69
Ala-Lys-Asn-Pro	ME795832	2.28	0.98	0.71	0.64	0.44	1.04	0.90
Ala-Lys-Gln-Pro	ME795836	2.12	0.85	0.75	0.64	0.52	1.04	0.80
PS(O-34:1)	ME795850	2.22	0.78	0.76	0.78	0.75	0.81	0.86
[SP (17:0)] heptadecasphinganine	ME795851	2.16	0.86	0.80	0.77	0.67	0.73	1.02
Acidissiminin	ME795880	1.89	0.78	0.91	0.94	0.72	0.85	0.88
PC(30:1)	ME795877	1.92	0.86	0.83	0.90	0.72	0.91	0.81
5-exo-Hydroxy-1,2-campholide	ME795881	2.04	0.87	0.84	1.02	0.88	0.82	0.99
Ala-Gln-Gln-Ser	ME796325	1.98	0.85	0.74	0.99	0.79	0.74	0.89
alpha-Ribazole_1	ME796320	1.98	0.89	0.86	0.94	0.67	0.68	0.92
Maculosin_1	ME796329	1.73	0.92	0.66	0.91	1.00	0.83	0.95
FA hydroxy(18:1)]	ME796319	2.05	0.89	0.67	0.92	0.90	0.75	0.76
Ile-Pro-Val_1	ME796316	2.04	0.94	0.48	0.86	0.83	0.89	0.95
Ile-Val-Pro-Tyr	ME796324	1.85	1.06	0.61	0.92	0.78	0.81	0.83
Glu-Arg_1	ME795857	1.78	0.92	0.95	0.67	0.90	0.99	0.71
2-Aminoacridone	ME795860	1.81	1.02	0.87	0.73	0.78	0.93	0.81
3,4-Dimethyl-5-pentyl-2-furanundecanoic acid	ME795873	1.76	1.01	0.78	0.81	0.87	0.97	0.74
N-Ethylmaleimide	ME795876	1.85	1.07	0.88	0.86	0.84	0.91	1.12
Glu-Pro-Val	ME796322	1.63	0.94	0.98	0.78	0.56	1.10	1.02
Asn-Pro-Pro-Pro	ME795875	1.85	0.99	0.83	0.86	0.54	1.04	0.86
Ile-Met-Thr-Pro	ME796323	1.73	0.97	0.73	0.85	0.63	0.94	1.08
Maculosin	ME796381	1.33	1.01	0.67	1.20	1.14	0.83	0.78
FA (12:1) dodecenoic acid	ME796013	1.93	1.01	0.63	1.26	1.21	0.74	1.07
L-Tyrosine methyl ester	ME795998	1.71	0.88	0.75	1.34	1.10	0.68	0.93
Subaphyllin	ME796389	1.49	1.11	0.55	1.40	0.70	0.81	0.91
Arg-Cys-Pro-Ser	ME796022	1.54	0.76	0.51	1.48	0.93	0.82	0.94
Ala-Met-Ala-Arg	ME795936	1.71	0.82	0.77	1.08	0.81	0.86	0.94
Ile-Ile-Val	ME796351	1.75	0.85	0.70	1.18	0.69	0.80	0.94
Ile-Val	ME796373	1.54	0.94	0.63	1.28	0.86	0.77	0.98
PS(33:0)	ME796002	1.55	0.77	0.80	1.27	0.83	0.76	1.02
N-Nitrosodiethylamine	ME795930	1.56	0.82	1.18	0.96	0.78	0.75	0.77
Dihydroclavaminic acid	ME796350	1.32	0.96	0.93	0.88	0.84	0.99	1.11
Darlingine	ME795964	1.41	0.89	0.96	0.97	0.77	1.01	1.04
L-Histidine_4	ME795927	1.43	0.92	1.05	0.88	0.77	0.96	0.97
Crocetin	ME795993	1.35	1.03	0.92	1.05	0.90	0.74	1.02
Dehydrojuvabione	ME795996	1.39	0.95	0.86	1.08	0.89	0.79	0.94
Asn-Lys-Met-Trp	ME795987	1.51	0.92	0.93	1.12	0.96	0.89	1.15
Piperidine	ME795982	1.49	0.98	0.92	1.09	1.06	0.96	1.03
Bendiocarb_1	ME795990	1.48	0.95	1.03	1.11	1.07	0.88	0.91
Pentadecanoyl-EA	ME795978	1.42	1.05	1.10	1.02	0.95	0.90	0.96
1,8-Diazacyclotetradecane-2,9-dione_1	ME796362	1.40	0.96	1.06	1.05	1.06	0.84	1.03
8-Amino-7-oxononanoate	ME796364	1.43	0.99	1.00	1.07	0.96	0.86	1.10
N-Methyl-2-pyrrolidinone	ME796356	1.46	0.98	1.00	1.05	0.97	0.85	1.03
Glu-Ile-Pro	ME795942	1.46	0.97	0.79	0.94	0.80	1.07	0.97
Dodecanamide	ME795985	1.50	0.90	0.85	1.10	0.86	0.89	0.87
2-chlorohexadecanol_1	ME795961	1.50	0.92	0.83	1.02	0.98	0.90	0.95
Ile-His-Ile	ME796132	1.47	0.91	0.80	1.02	0.91	1.05	0.96
Ile-Ile-Pro	ME796353	1.40	0.89	0.84	0.98	0.94	0.97	0.98
CHAPS	ME796336	1.69	0.91	0.88	0.97	0.84	0.83	0.84
Deoxynupharidine	ME795914	1.57	1.03	0.89	0.94	0.93	0.88	0.77
Senecionine	ME795946	1.60	0.99	1.10	1.04	0.92	0.81	0.82
3-Phenyl-4-pentenal	ME795979	1.55	0.84	0.97	1.13	0.83	0.73	0.93
2-chlorohexadecanol	ME795965	1.54	0.97	1.03	1.06	0.70	0.79	0.90
[FA (16:4)] hexadecatetraenoic acid	ME795966	1.48	0.98	1.05	1.02	0.75	0.78	0.87
8-(3,3-Dimethylallyl)spatheliachromene	ME795905	1.72	0.97	0.98	1.01	0.90	0.87	1.03
Secobarbital	ME795958	1.60	0.95	0.94	1.08	0.95	0.89	0.99
(3R,7R)-1,3,7-Octanetriol	ME795908	1.60	0.95	1.03	0.94	0.78	0.69	0.98
Ethoxyquin	ME795928	1.62	0.91	0.93	0.99	0.82	0.72	0.99
N,N-Dimethylaniline N-oxide	ME795893	1.66	0.86	0.97	0.91	0.77	0.78	0.99
Selagine	ME795884	1.71	0.86	0.97	0.87	0.84	0.82	0.98
2-Naphthylamine	ME795886	1.62	0.95	0.95	0.86	0.84	0.81	0.97
Baptifoline	ME795903	1.58	0.91	1.03	0.92	0.80	0.81	0.95
FA oxo(15:0)	ME795896	1.54	0.92	0.91	0.86	0.99	0.86	0.97
vernolate_1	ME795898	1.61	0.92	0.83	0.92	0.95	0.79	0.93
4-8dimethylnonanoylcarnitine	ME795986	1.37	1.00	1.01	1.01	0.82	0.83	0.89
FA hydroxy(12:0) dodecanoic acid	ME795980	1.42	0.95	1.01	1.02	0.88	0.84	0.82
Kanzonol V	ME795983	1.38	0.88	1.04	1.01	0.93	0.80	0.95
Zinnimidine_1	ME795969	1.45	0.95	1.06	1.01	0.87	0.86	1.01
(+-)-Carnegine	ME795971	1.46	0.97	0.99	1.02	0.81	0.80	0.96
[SP hydroxy,hydroxy,methyl(10:2/2:0)] 6R-(8-hydroxydecyl)-2R-(hydroxymethyl)-piperidin-3R-ol_1	ME795954	1.45	0.95	0.99	0.97	0.84	0.78	1.04
N-Methyl-2-pyrrolidinone_1	ME795916	1.57	0.83	1.04	0.95	0.89	0.88	0.96
FA (12:1) dodecenoic acid_1	ME795923	1.54	0.93	0.99	0.94	0.84	0.93	0.82
[FA amino(14:0)] 2-amino-tetradecanoic acid_1	ME795922	1.52	0.97	0.96	0.93	0.84	0.92	0.82
1-Octanal	ME795902	1.49	0.94	1.03	0.87	0.83	0.89	0.89
3-Methoxy-4-hydroxyphenylglycolaldehyde	ME795909	1.53	0.94	0.99	0.91	0.89	0.87	0.84
Pentadecanoyl-EA_1	ME795906	1.51	0.99	1.00	0.89	0.88	0.82	0.88
thiabendazole	ME795918	1.52	0.93	0.91	0.92	0.84	0.83	0.96
2-Ethylhexyl phthalate	ME795925	1.51	0.96	0.95	0.93	0.85	0.84	0.95
Lycoflexine_2	ME795937	1.49	0.94	0.94	0.94	0.87	0.81	0.95
2-trans,4-cis-Decadienoylcarnitine	ME795941	1.46	0.93	0.97	0.94	0.87	0.81	0.98
2-(3-Phenylpropyl)pyridine	ME795943	1.49	0.90	0.95	0.96	0.83	0.83	0.99
Bendiocarb_2	ME795934	1.49	0.89	0.98	0.94	0.84	0.84	0.97
5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid-d4	ME795959	1.51	0.91	0.88	1.02	0.88	0.83	0.93
Ile-Ile-Val_1	ME795931	1.53	0.93	0.88	0.95	0.88	0.89	0.90
4-Aminobutanal_1	ME795935	1.51	0.88	0.95	0.95	0.90	0.84	0.91
Lycoflexine_1	ME795926	1.56	0.88	0.94	0.95	0.89	0.83	0.93
[PR] iso-Debromo-laurinterol	ME795953	1.47	0.90	0.93	0.97	0.87	0.86	0.89
1,3,8-Naphthalenertriol	ME795938	1.55	0.89	0.92	0.99	0.84	0.89	0.90
Lycoflexine	ME795944	1.52	0.91	0.96	0.98	0.85	0.86	0.90
6-Hydroxypseudooxynicotine_3	ME795933	1.50	1.05	0.92	0.94	0.82	0.84	0.91
1H-Imidazole-4-ethanamine	ME795955	1.47	0.97	0.88	0.98	0.90	0.83	0.91
Apiole	ME795940	1.48	0.98	0.94	0.95	0.90	0.85	0.87
[FA oxo(14:0)] 3-oxo-tetradecanoic acid	ME795920	1.45	1.01	0.91	0.88	0.85	0.89	0.98
1H-Imidazole-4-ethanamine_1	ME795899	1.52	0.94	0.94	0.86	0.88	0.81	1.09
Creatinine	ME795904	1.54	0.97	0.90	0.91	0.79	0.86	1.05
Hypoxanthine_1	ME795960	1.46	1.01	0.85	0.99	0.82	0.76	1.02
Anapheline	ME795929	1.57	0.94	0.86	0.97	0.82	0.82	0.97
CAPS	ME796348	1.53	0.90	0.89	1.01	0.84	0.80	1.04
2-Methylthiobenzothiazole	ME795967	1.49	0.94	0.89	1.03	0.80	0.84	0.99
Hydroxypropionylcarnitine_1	ME795973	1.47	0.93	0.85	1.04	0.82	0.86	1.01
alpha-Butyl-omega-hydroxypoly(oxyethylene) poly(oxypropylene)	ME795962	1.45	0.88	0.94	0.98	0.83	0.82	1.12
Rhubafuran	ME795951	1.57	0.82	0.92	1.04	0.80	0.78	1.08
Ile-Ile-Ser	ME796415	1.12	0.96	0.90	1.04	0.82	1.08	1.15
Ile-Lys	ME796365	1.31	1.02	0.85	0.99	0.70	1.02	1.15
Ile-Pro-Val	ME796377	1.28	0.87	0.77	1.13	0.85	0.93	1.25
8-Oxodeoxycoformycin	ME795992	1.32	0.89	0.75	1.00	0.88	1.09	1.09
Semilepidinoside A	ME796352	1.34	0.88	0.72	0.92	0.83	1.02	1.19
Heterophyllin	ME796358	1.49	1.02	0.91	1.08	0.86	0.98	1.19
L-Valine	ME796347	1.58	0.99	1.01	1.04	0.94	1.04	1.21
2-Octenedioicacid	ME796349	1.45	0.95	1.01	0.97	0.98	0.96	1.33
Indole_1	ME795981	1.37	1.01	1.11	1.00	0.82	0.94	1.34
trihomocitrate	ME795895	1.39	0.91	1.07	0.77	0.81	0.92	1.31
5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid-d4_2	ME795948	1.34	0.83	0.88	0.88	0.93	0.88	1.32
5S,12R-dihydroxy-6Z,8E,10E,14Z-eicosatetraenoic acid-d4_1	ME795900	1.48	0.88	0.94	0.85	0.85	0.79	1.32
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrahydro-1- naphthol	ME796341	1.54	0.84	0.80	0.93	0.85	0.81	1.17
Benzoate	ME796337	1.51	0.87	0.81	0.87	0.85	0.87	1.25
Decanoylcholine	ME796021	1.38	0.94	0.95	1.30	1.15	0.96	0.83
Zinnimidine	ME796375	1.30	0.98	1.16	1.11	1.01	1.04	0.98
1,8-Diazacyclotetradecane-2,9-dione	ME796379	1.36	0.94	1.06	1.22	1.04	0.97	1.04
Caproylcholine	ME796009	1.46	0.97	1.15	1.22	0.92	0.97	1.00
L-gamma-glutamyl-L-isoleucine	ME796370	1.10	1.15	0.89	0.88	0.89	1.08	1.02
Ile-Ile-Pro_1	ME796020	1.13	0.95	1.05	1.06	0.88	0.92	1.00
1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine	ME795970	1.35	1.01	0.96	0.94	0.94	0.84	0.91
Hexylamine	ME795950	1.33	1.14	0.95	0.88	0.99	0.83	0.88
Isovalerylglutamicacid_1	ME796000	1.32	1.06	1.10	1.05	1.03	0.92	0.82
Cytosine_1	ME795999	1.21	1.07	1.04	0.95	0.99	0.89	0.92
Ile-Gly-Val	ME795994	1.22	0.95	1.07	0.94	0.96	0.90	0.91
Arg-Cys-Pro-Pro	ME796014	1.14	1.08	0.99	0.99	0.86	0.82	1.15
L-Methionine S-oxide	ME796392	1.06	1.15	0.99	1.01	0.91	0.87	1.30
Asn-Asn-Asn	ME796015	1.16	1.22	0.95	1.03	0.93	0.74	0.96
Leucyl-leucyl-norleucine	ME796034	1.08	1.09	0.91	1.12	0.98	0.83	0.99
His-Leu	ME796385	1.28	1.08	0.81	1.16	0.66	0.98	1.03
Ile-His-Pro	ME796391	1.28	1.08	0.71	1.22	0.81	0.92	0.96
Val-Arg	ME796044	1.05	1.30	0.61	1.20	0.69	1.09	1.08
Val-Arg_1	ME796024	1.21	1.19	0.56	1.18	0.75	0.97	1.19
Met-Ala	ME796340	1.52	1.12	0.60	0.91	0.49	1.16	1.08
Ile-Val_1	ME796343	1.58	1.08	0.49	0.99	0.74	0.91	1.28
Val-Val_1	ME795956	1.61	1.19	0.45	1.07	0.79	0.82	1.10
Ala-Leu-Val-Pro	ME796018	1.43	1.16	0.79	0.99	0.76	0.77	1.05
Ile-Lys_2	ME796345	1.49	1.20	0.76	0.94	0.68	0.88	1.06
Ala-Val-Val-Pro	ME796339	1.49	1.03	0.76	0.89	0.63	1.02	1.23
Ile-Thr	ME796355	1.45	1.07	0.70	1.02	0.64	0.90	1.29
Ile-Ser-Val	ME796326	1.29	0.80	0.78	0.66	0.69	1.55	1.32
9-mercaptodethiobiotin_1	ME795913	1.33	0.84	0.71	0.80	0.91	1.30	1.14
Leu-Gly-Pro	ME795911	1.10	0.86	0.99	0.66	0.90	1.40	1.12
Sucrose monopalmitate	ME795910	1.60	0.50	0.87	0.95	0.86	1.31	0.87
Dehydrophytosphingosine	ME796011	1.43	0.75	0.87	1.22	1.31	1.33	0.67
[FA oxo(5:1/5:0/8:0)] (1S,2S)-3-oxo-2-(2^Z-pentenyl)-cyclopentaneoctanoic acid	ME796400	1.14	0.69	0.85	1.24	1.22	1.16	0.60
2,3,4,5-Tetrahydropyridine-2-carboxylate	ME795989	1.34	0.65	0.77	1.00	1.39	1.31	0.99
5-6-DihydroxyprostaglandinF1a	ME795975	1.62	0.60	0.78	1.15	1.17	1.33	0.92
3,5,7-Trimethyl-2E,4E,6E,8E-undecatetraene	ME796070	1.13	0.66	0.50	1.56	0.92	0.67	1.75
8-Amino-7-oxononanoate_2	ME796064	1.13	0.89	0.69	1.48	0.81	0.89	1.80
FA (14:2) tetradecadienal	ME796069	1.06	0.92	0.60	1.45	1.21	0.96	1.71
(1R,4S)-fenchan-2-one	ME796054	1.18	0.71	0.49	1.46	1.15	0.97	1.37
FA (16:2)	ME796046	1.24	0.76	0.61	1.45	1.07	0.68	1.58
[SP hydroxy,hydroxy,methyl(10:2/2:0)] 6R-(8-hydroxydecyl)-2R-(hydroxymethyl)-piperidin-3R-ol	ME796041	1.47	0.78	0.62	1.62	1.16	0.72	1.51
Adenosine	ME796454	0.76	1.23	1.17	1.33	0.98	0.68	1.13
Asn-Met-Gln-Pro	ME796439	0.84	1.18	1.09	1.33	0.87	0.62	1.11
Heliettin_1	ME796037	0.99	1.33	1.36	1.05	0.81	0.87	1.17
3-Methylguanine_1	ME796030	0.99	1.21	1.18	1.00	0.75	0.80	1.10
Asn-Lys-Asp-Cys	ME796412	0.98	1.17	1.18	1.20	0.82	0.64	1.02
Asp-Pro-Ser-Tyr	ME796040	1.04	1.14	1.16	1.14	0.80	0.68	1.05
L-Methionine	ME796436	0.67	1.47	1.03	1.05	1.18	0.96	1.20
Adenine	ME796434	0.98	1.47	1.04	1.46	0.95	0.68	1.23
L-Valine_1	ME796432	0.85	1.48	1.01	1.24	1.13	0.81	1.30
Indole	ME796067	0.96	1.37	0.97	1.28	1.14	0.83	1.21
L-Phenylalanine	ME796426	0.92	1.38	1.02	1.24	1.18	0.88	1.17
1-Isothiocyanato-8-(methylthio)octane_2	ME796089	0.77	1.46	0.78	1.29	0.81	0.77	1.17
Nalpha,Nalpha-Dimethyl-L-histidine_1	ME796057	0.81	1.70	0.71	1.01	0.88	0.88	1.02
Aspartyl-L-proline_3	ME796145	0.78	1.08	1.10	1.29	0.88	0.98	0.70
LL-2,6-Diaminoheptanedioate_3	ME796122	0.57	1.17	1.02	1.45	0.83	0.93	1.04
L-Glutamine	ME796444	0.79	1.10	1.10	1.27	1.02	1.12	1.47
S-Adenosyl-L-methionine_2	ME796077	0.73	0.92	1.19	1.07	1.05	1.19	1.55
L-Proline	ME796405	1.07	0.95	1.20	1.18	1.09	1.09	1.21
N(pi)-Methyl-L-histidine	ME796075	0.96	1.00	1.12	1.35	0.93	0.93	1.10
FAD	ME796455	0.69	0.96	1.11	1.21	1.05	0.86	1.16
N-(6-Aminohexanoyl)-6-aminohexanoate_2	ME796059	0.84	0.96	0.98	1.07	1.01	1.01	1.18
(3R)-hydroxy-N-acetyl-(L)-arginine_2	ME796060	0.80	1.14	0.93	1.03	1.07	0.95	1.10
corresponding carbamoyl amino acid	ME796062	0.87	1.03	1.01	1.13	1.05	0.86	1.05
Methyl 2-diazoacetamidohexonate	ME796445	0.74	1.09	0.98	1.19	1.04	0.85	1.15
7-O-Acetylsalutaridinol	ME796453	0.67	0.81	1.03	1.16	1.03	1.21	1.13
quinonoid dihydro-(6H)-biopterin	ME796051	0.91	0.79	1.03	1.10	1.06	1.09	1.04
Cytosine	ME796091	1.07	1.06	0.85	1.88	0.83	0.68	1.12
Ala-Met-Asn-Gln	ME796154	0.96	0.92	0.81	1.89	0.67	0.67	0.97
CPX	ME796105	0.88	1.08	0.71	1.84	0.84	0.67	0.99
Deoxyadenosine	ME796474	0.84	1.07	0.89	1.81	0.72	0.61	1.09
Vinylacetylglycine	ME796084	1.12	1.18	0.51	1.75	1.35	0.69	1.12
Tos-Arg-CH2Cl	ME796115	0.65	1.36	0.71	1.52	1.14	0.59	1.03
N-Formimino-L-glutamate	ME796478	0.66	1.34	0.54	1.48	1.17	0.71	1.14
Thr-Ala-Ser	ME796100	0.73	1.37	0.59	1.44	1.03	0.69	1.19
Choline sulfate	ME796458	0.85	1.04	0.81	1.54	1.05	0.65	1.08
Metharbital	ME796092	0.79	1.06	0.71	1.39	1.21	0.74	1.14
Val-Tyr	ME796461	0.92	0.96	0.53	1.70	0.89	0.91	0.98
Ile-Ala_2	ME796087	0.96	1.07	0.60	1.54	0.98	0.88	0.97
Ile-Tyr	ME796438	0.95	1.13	0.48	1.50	0.96	0.84	1.01
5-Aminopentanamide	ME796047	1.11	0.87	0.85	1.31	1.06	1.09	1.09
Brunfelsamidine	ME796170	1.19	1.00	0.67	1.41	0.98	0.86	1.05
Isovalerylglutamicacid	ME796073	1.01	1.01	0.84	1.41	1.19	0.94	1.06
Ala-Pro_2	ME796071	1.12	1.00	0.77	1.55	1.15	0.89	1.08
Lathodoratin	ME796095	1.07	0.98	0.83	1.47	1.08	0.96	1.18
Castanospermine_1	ME796028	1.25	1.17	0.81	1.25	0.99	0.62	1.28
Uracil	ME796402	1.23	1.12	0.75	1.35	1.05	0.95	1.40
Acetylcholine_1	ME796058	1.17	0.93	0.65	1.46	1.13	0.58	1.12
Gibberellin A3	ME796052	1.24	1.07	0.81	1.50	0.86	0.51	1.00
5-Aminolevulinate_2	ME796134	0.50	1.08	1.46	1.42	0.81	0.79	1.65
4-Oxoproline_2	ME796082	0.81	1.28	0.81	1.26	1.18	0.84	1.68
Ergothioneine	ME796447	0.80	1.29	0.89	1.32	0.82	0.46	1.55
4beta-(2-Aminoethylthio)epicatechin 3-gallate	ME796495	0.47	1.30	0.78	1.26	0.90	1.00	1.38
AMP	ME796553	0.29	1.45	1.04	1.72	1.13	0.74	1.50
GMP	ME796528	0.32	1.25	1.07	1.34	1.09	0.71	1.29
LysoPC(12:0)	ME796065	1.28	0.45	0.74	1.67	0.78	1.12	0.95
N-Acetylputrescine	ME796096	0.88	0.82	0.59	1.61	1.49	1.03	1.09
O-Acetylcarnitine_2	ME796114	0.81	0.63	0.77	1.41	1.46	1.06	0.99
Proclavaminic acid	ME796457	0.73	1.09	0.41	1.30	0.97	1.46	1.04
2-Aminomuconate semialdehyde	ME796167	0.71	0.82	0.62	1.58	0.90	1.31	0.90
(3S,5R)-carbapenam_2	ME796103	0.83	0.93	0.85	1.72	0.97	1.23	1.14
Glu-Met-Asp-Pro	ME796246	NA	0.44	0.42	1.60	1.42	0.58	1.15
Phosphonoacetaldehyde	ME796211	NA	0.39	0.40	1.72	1.67	0.47	1.07
Ala-Ala-Ser-Ser	ME796248	NA	0.82	0.64	1.04	1.38	0.99	1.16
AMCC	ME796606	NA	0.45	0.56	1.10	1.49	0.75	1.43
Choline	ME796197	0.22	1.03	1.32	2.21	1.08	0.70	1.26
Nicotinamide	ME796142	0.69	0.86	0.70	2.19	1.26	0.67	1.14
N4-Acetylaminobutanal	ME796166	0.47	1.07	0.68	2.05	1.35	0.81	1.29
GW 4064	ME796174	0.36	0.95	0.76	1.82	1.30	0.65	1.20
NAD+	ME796548	0.33	0.96	0.86	1.88	1.45	0.67	1.46
4-(Trimethylammonio)but-2-enoate_3	ME796150	0.52	0.75	1.04	1.89	1.35	1.02	1.24
N-Acetylcadaverine	ME796121	0.73	0.61	0.96	1.82	1.15	1.07	1.18
6-Hydroxynicotinate	ME796139	0.53	0.65	0.85	1.59	1.56	0.62	1.26
Glycylproline	ME796546	0.27	0.98	0.86	1.43	1.32	1.04	1.14
Thiamin	ME796189	0.21	1.09	0.72	1.53	1.44	0.92	1.11
5,6-Dihydrothymine	ME796140	0.52	0.91	1.05	1.57	1.47	0.89	1.36
Nicotinamide_2	ME796131	0.60	1.07	1.06	1.66	1.31	0.70	1.24
L-Carnitine	ME796555	0.31	0.98	1.24	1.89	1.30	0.86	1.23
O-Acetylcarnitine	ME796569	0.16	0.90	1.01	1.61	1.21	0.64	1.35
sinapoyltyramine	ME796545	0.31	0.84	0.89	1.67	1.19	0.98	1.15
Acetylcholine	ME796187	0.24	0.82	1.12	1.69	1.22	0.81	1.11
Deoxymannojirimycin	ME796520	0.43	0.92	1.05	1.53	1.26	0.72	1.12
Phantomolin	ME796163	0.40	0.92	0.96	1.75	1.18	0.73	1.09
O-Acetylcarnitine_3	ME796581	0.07	0.98	0.88	2.00	1.14	0.49	1.59
1-deoxyxylonojirimycin	ME796541	0.31	0.85	0.80	1.57	1.28	0.76	1.57
Heliettin	ME796165	0.38	0.95	0.77	1.68	1.28	0.88	1.75
Silandrin	ME796534	0.38	1.21	0.37	1.77	1.02	1.05	1.25
Aklanonic acid methyl ester	ME796607	NA	0.77	0.49	1.68	0.54	0.91	1.31
Ala-Thr-Ala-Ser	ME796257	NA	0.98	0.69	1.22	0.89	1.13	1.12
Aspartyl-L-proline	ME796253	NA	1.03	0.58	1.61	0.93	0.89	0.93
L-Cysteine	ME796218	NA	1.28	0.50	1.31	0.83	0.39	0.81
Met-Ser-Ser	ME796194	0.28	1.48	0.51	1.20	1.37	0.67	1.17
L-beta-aspartyl-L-alanine_2	ME796590	NA	1.17	0.81	1.23	1.12	0.57	1.13
NADPH	ME796617	NA	1.09	0.61	1.31	1.25	0.78	1.08
3,5-dihydro-5-methylidene-4H-imidazol-4-one	ME796213	NA	0.87	0.98	1.29	1.08	0.77	1.00
dATP	ME796595	NA	0.79	1.01	1.34	0.95	0.72	1.18
N-Ribosylnicotinamide	ME796263	NA	0.86	1.27	1.10	1.13	0.73	0.89
L-thiazolidine-4-carboxylate	ME796244	NA	0.88	1.19	0.91	1.10	0.91	1.04
ZAPA	ME796223	NA	1.02	1.02	0.96	1.01	0.92	1.09
(-)-Arctigenin	ME796172	0.35	1.32	1.29	0.88	1.05	0.63	1.21
L-lysine-p-nitroanilide	ME796216	NA	1.48	1.10	0.96	0.87	0.66	0.91
O-Succinyl-L-homoserine	ME796591	NA	0.57	0.48	2.27	1.04	0.17	1.62
Hypoxanthine	ME796185	0.40	1.03	0.40	2.57	1.30	0.27	1.04
N2-(D-1-Carboxyethyl)-L-arginine	ME796207	0.05	0.71	0.52	2.18	1.38	0.52	0.90
validamine	ME796217	NA	0.61	0.37	2.54	1.07	0.50	0.88
CDP	ME796589	NA	0.67	0.63	2.26	0.72	0.69	1.05
CDP-glycerol	ME796561	0.26	0.79	0.67	2.11	0.98	0.90	1.37
N-Acetylornithine_3	ME796578	0.09	0.67	0.46	2.07	1.60	1.04	1.09
O-methylandrocymbine_2	ME796566	0.20	0.64	0.50	2.25	1.34	1.02	1.06
4-Aminobutanoate	ME796577	0.11	1.07	0.68	2.38	1.41	0.92	1.21
Castanospermine	ME796574	0.15	1.16	0.63	2.53	1.34	0.62	1.42
6-methylthiohexylhydroximate	ME796107	1.06	0.99	0.40	2.22	1.11	0.19	1.06
L-Alanine_3	ME796144	0.76	1.03	1.17	2.47	0.51	0.63	1.21
1,6-anhydro-N-acetylmuramate	ME796525	0.55	1.07	0.63	2.26	0.73	0.51	1.35
CMP	ME796524	0.55	1.05	0.53	2.24	0.59	0.49	1.73
UDP-N-acetylmuramate	ME796531	0.53	0.98	0.53	2.29	0.65	0.40	1.84
(1R,3R,3^S*)-1,2,3,4-Tetrahydro-1-(2-thio-3-pyrrolidinyl)-beta-carboline-3-carboxylic acid	ME796551	0.23	1.15	1.24	1.37	1.19	1.46	0.15
3,5-Dinitro-L-tyrosine	ME796173	0.26	0.78	1.19	0.97	1.31	1.31	NA
(2E,11Z)-5-[5-(Methylthio)-4-penten-2-ynyl]-2-furanacrolein	ME796097	0.56	0.76	1.50	0.79	1.55	0.57	1.20
(3S,5R)-carbapenam	ME796234	NA	1.14	1.21	0.93	1.66	0.50	1.12
L-2-Aminoadipate_3	ME796515	0.27	1.40	1.67	0.92	1.42	0.82	1.32
Ala-Asn-Tyr	ME796249	NA	0.91	1.28	0.84	1.08	NA	0.85
Neodunol	ME795901	0.45	0.95	1.42	0.53	0.84	NA	1.62
4-Oxoproline_1	ME796236	NA	0.65	2.17	0.23	1.29	1.27	1.06
N-Acetyl-L-glutamate	ME796313	0.06	0.61	2.44	0.02	1.25	1.19	1.25
Pantetheine	ME796394	0.37	0.87	2.20	0.36	1.10	1.05	1.05
Pantetheine_1	ME796003	0.47	1.00	2.00	0.28	0.90	1.20	1.01
Anthocyanin	ME796179	0.11	0.57	1.90	0.61	1.41	1.31	1.12
Glu-Met	ME796502	0.23	0.77	1.85	0.65	1.06	1.34	1.14
L-Formylkynurenine	ME796480	0.26	0.74	1.75	0.60	1.15	1.41	1.13
Dihydro-4-mercapto-3(2H)-furanone	ME796053	0.26	1.05	1.64	0.32	1.33	0.72	0.96
Oxidized Oplophorus luciferin	ME796256	NA	0.86	1.58	0.52	1.07	0.78	1.26
3,4-Dehydrothiomorpholine-3-carboxylate	ME796243	NA	0.71	1.65	0.96	0.83	0.90	0.94
(3R)-hydroxy-N-acetyl-(L)-arginine_3	ME796261	NA	0.61	1.55	0.75	0.89	1.20	1.00
(6R)-6-(L-Erythro-1,2-Dihydroxypropyl)-5,6,7,8-tetrahydro-4a-hydroxypterin	ME796242	NA	0.72	1.35	0.74	0.92	1.21	1.08
L-alpha-glutamyl-L-hydroxyproline	ME796609	NA	0.76	1.68	0.54	0.69	1.32	1.01
Nicotianamine	ME796618	NA	0.81	1.58	0.50	0.70	1.03	1.11
L-methioninamide	ME796268	NA	0.83	1.84	0.33	0.74	0.97	0.71
L-methioninamide_1	ME796255	NA	0.81	1.90	0.28	1.04	0.95	1.02
gamma-L-Glutamyl-L-cysteinyl-beta-alanine	ME796622	NA	0.66	1.99	0.38	0.62	0.77	1.16
Glu-Arg	ME796239	NA	0.41	1.78	0.52	0.82	1.16	1.22
2-Amino-2-deoxy-D-gluconate	ME796238	NA	0.70	1.81	0.54	0.87	0.97	1.14
Ophthalmicacid	ME796588	NA	0.67	1.80	0.48	0.76	1.00	1.39
N-Ribosylhistidine	ME796265	NA	0.78	1.05	0.85	0.82	1.59	0.84
Methyl 2-diazoacetamidohexonate_1	ME796240	NA	0.57	1.08	0.84	1.23	1.05	1.31
Methyl 2-(4-isopropyl-4-methyl-5-oxo-2-imidazolin-2-yl)-p-toluate	ME796597	NA	0.56	1.07	0.54	1.67	1.15	1.00
5-Hydroxy-L-tryptophan	ME796603	NA	0.55	1.15	0.86	1.51	0.88	1.07
d-biotin d-sulfoxide	ME796587	NA	0.86	1.18	0.59	1.38	0.97	1.04
Pipotiazine	ME796229	NA	0.60	1.19	0.65	1.39	0.96	0.80
Aldicarb	ME796254	NA	0.35	0.85	0.86	1.26	1.46	0.86
Ala-Phe-Ala-Gly	ME796232	NA	0.73	0.97	0.63	1.07	1.44	1.12
Nalpha,Nalpha-Dimethyl-L-histidine	ME796258	NA	0.64	1.16	0.59	1.08	1.44	1.00
N-Phenylacetamide	ME796267	NA	0.63	1.03	0.29	1.20	1.20	0.90
Glu-Met_2	ME796611	NA	0.64	1.24	0.52	1.32	1.27	1.00
N-Acetyl-D-tryptophan	ME796602	NA	0.50	1.03	0.57	1.41	1.45	0.88
Glu-Glu_1	ME796630	NA	0.24	1.22	NA	0.62	1.30	1.31
(3R)-hydroxy-N-acetyl-(L)-arginine	ME796262	NA	0.34	1.54	0.32	0.98	1.18	1.41
Cys-Gly	ME796269	NA	0.42	1.30	0.36	0.76	1.39	1.19
4-Imidazolone-5-acetate	ME796235	NA	0.34	1.48	0.37	1.41	1.33	1.08
N2-(D-1-Carboxyethyl)-L-lysine_3	ME796608	NA	0.32	1.23	0.44	1.24	1.63	0.96
N6-Acetyl-N6-hydroxy-L-lysine_3	ME796613	NA	0.23	1.37	0.33	1.32	1.66	1.11
Leucyl-Hydroxyproline	ME796270	NA	0.29	0.80	0.28	1.17	1.51	0.85
O-methylandrocymbine	ME796215	NA	0.30	0.82	0.34	1.06	1.92	1.28
D-Glucosamine	ME796227	NA	0.34	1.01	0.51	0.98	1.80	1.26
γ-thiomethyl glutamate_1	ME796620	NA	0.36	0.89	0.42	0.87	1.68	1.23
N-Acetyl-L-glutamate 5-semialdehyde	ME796517	0.43	0.89	1.63	1.50	0.82	1.44	1.05
(S)-1-Pyrroline-5-carboxylate_2	ME796106	0.73	0.26	1.32	1.52	1.06	1.72	1.09
indole-3-acetyl-valine	ME796408	0.34	0.51	1.38	0.40	1.86	1.43	1.12
Bendiocarb	ME796433	0.28	0.75	1.58	0.40	1.66	1.83	1.21
Nnal-N-oxide	ME796459	0.20	0.54	1.49	0.37	1.33	2.03	1.06
5^-Oxoinosine	ME796467	0.32	0.51	1.48	0.63	1.15	1.44	1.63
Asn-Pro	ME796398	0.65	0.54	1.40	0.69	1.29	1.37	1.09
Bendiocarb_3	ME796035	0.55	0.70	1.47	0.57	1.55	1.71	1.13
(S)-ATPA_1	ME796388	0.66	0.73	1.47	0.61	1.53	1.54	1.28
7,8-Diaminononanoate	ME796136	0.35	0.72	1.32	1.02	1.58	1.52	1.16
L-Tyrosine	ME796483	0.29	0.79	1.33	0.70	1.53	1.25	1.16
Ile-Val_2	ME796135	0.31	0.57	1.30	0.88	1.21	1.61	1.14
Val-Val	ME796109	0.39	0.59	1.43	0.83	1.06	1.63	1.10
D-Alanyl-D-alanine	ME796526	0.23	0.77	1.21	0.93	1.19	1.55	1.18
Glu-Met-Thr	ME796162	0.24	0.80	1.31	1.01	1.13	1.41	1.15
(+)-12a-Hydroxyerythynone	ME796099	0.47	0.85	1.29	0.92	1.04	1.30	1.17
3-Amino-2-piperidone	ME796123	0.41	0.75	1.38	0.80	1.10	1.45	1.23
Ne,Ne dimethyllysine	ME796137	0.39	0.73	1.33	0.85	1.11	1.36	1.12
N-acetyl-(L)-arginine	ME796500	0.29	0.75	1.35	0.79	1.49	1.76	1.43
Guanidinoacetate	ME796126	0.20	0.58	1.48	0.52	1.33	1.67	1.29
Ile-Lys_1	ME796152	0.19	0.59	1.42	0.71	1.37	1.60	1.14
N2-(D-1-Carboxyethyl)-L-lysine_2	ME796133	0.26	0.67	1.27	0.73	1.32	1.54	1.29
Epsilon-(gamma-Glutamyl)-lysine	ME796407	0.47	0.78	1.82	0.41	0.65	1.62	1.15
Pantothenate	ME796384	0.44	0.70	2.20	0.40	0.71	1.68	1.14
Fagomine_2	ME796102	0.37	0.76	1.73	0.76	0.81	2.00	1.33
L-Histidine_1	ME796008	0.65	0.89	1.76	0.55	0.98	1.70	1.22
L-Histidine_2	ME796043	0.52	0.85	1.80	0.58	0.94	1.91	1.17
gamma-L-Glutamyl-D-alanine_2	ME796127	0.32	0.82	1.60	0.86	0.88	1.62	0.86
Ser-Arg	ME796175	0.24	0.66	1.65	0.62	0.76	1.81	0.84
gamma-Glutamyl-S-(1-propenyl)cysteine sulfoxide	ME796452	0.36	0.91	1.35	0.60	1.02	1.58	1.23
Brunfelsamidine_1	ME796055	0.41	0.76	1.58	0.51	1.04	1.71	0.98
L-gamma-glutamyl-L-isoleucine_2	ME796494	0.34	0.66	1.54	0.45	0.97	1.63	1.11
N2-Succinyl-L-ornithine	ME796544	0.65	0.72	1.19	0.86	0.81	1.49	0.92
Ile-Ala-Val	ME796503	0.60	0.61	1.16	0.56	0.70	1.50	1.11
L-gamma-glutamyl-L-isoleucine_1	ME796164	0.59	0.70	1.26	0.65	0.82	1.52	1.22
Arg-OEt	ME796094	0.54	0.97	1.69	0.98	0.90	1.39	1.19
N-Acetyl-D-fucosamine	ME796451	0.53	0.91	1.66	0.88	1.10	1.25	1.37
N-Acetyl-2,3-dihydro-1H-pyrrole	ME795947	0.98	0.66	1.68	0.64	0.87	1.33	1.11
Epsilon-(gamma-Glutamyl)-lysine_1	ME796376	0.66	0.69	1.68	0.56	0.85	1.42	1.19
N6-Acetyl-N6-hydroxy-L-lysine_1	ME796423	0.54	0.67	1.69	0.71	0.82	1.45	1.15
(3R)-hydroxy-N-acetyl-(L)-arginine_1	ME796023	0.67	0.46	1.08	0.65	1.25	1.79	1.13
Leucyl-Hydroxyproline_1	ME795972	1.00	0.75	1.07	0.70	1.24	1.58	1.11
8,8-Dimethyl-2-phenyl-4H,8H-benzo[1,2-b:3,4-b^]dipyran-4-one	ME796399	0.91	0.63	0.61	0.98	1.42	1.37	1.12
Acanthicifoline	ME796177	0.69	0.72	0.78	0.91	1.41	1.22	0.95
Diisopropyl phosphate	ME796110	0.59	0.70	1.01	0.96	1.21	1.37	1.07
L-Histidine_3	ME796083	0.59	0.81	0.99	0.92	1.56	1.58	1.09
N4-Acetylaminobutanal_2	ME796161	0.32	0.54	1.25	1.37	1.48	1.61	1.17
5,6-Dihydrothymine_2	ME796124	0.48	0.61	0.97	1.25	1.50	1.55	1.18
(S)-1-Pyrroline-5-carboxylate	ME796111	0.57	0.73	1.06	1.26	1.45	1.43	1.08
Ectoine	ME796157	0.35	0.53	0.77	1.40	1.75	1.67	1.28
Homostachydrine	ME796117	0.57	0.49	0.71	1.35	1.38	1.70	1.19
1-Isothiocyanato-8-(methylthio)octane	ME796120	0.53	0.74	0.74	1.33	1.13	1.53	1.00
gamma-L-Glutamyl-D-alanine_4	ME796533	0.28	0.82	0.91	1.30	0.99	1.66	1.05
Ala-Asp-Pro	ME796497	0.44	0.77	1.10	1.18	0.77	1.78	0.94
Ala-Gly-Pro	ME796477	0.44	0.81	1.01	0.98	0.93	1.67	1.22
Gammaglutamylornithine	ME796183	0.43	0.42	1.00	1.25	1.05	1.27	1.40
Ile-Ala-Gly	ME796180	0.35	0.78	1.00	1.46	0.97	1.23	1.07
NADP+	ME796550	0.21	0.72	1.27	1.23	1.18	1.25	1.20
Porphobilinogen	ME796344	0.72	0.80	1.30	0.45	1.51	1.12	1.12
(S)-ATPA	ME796409	0.52	0.80	1.18	0.62	1.62	1.08	1.23
Phe-Thr-Ser	ME796155	0.22	1.02	0.80	0.89	1.84	1.09	1.18
Slaframine_3	ME796469	0.45	0.89	1.25	0.89	1.89	1.17	1.19
L-Alanine_2	ME796118	0.42	0.88	1.01	0.99	1.83	1.34	1.20
N-Acetylglutamine	ME796527	0.21	0.73	0.96	0.86	1.86	1.30	1.12
N-Butyryl-L-homoserine lactone	ME796465	0.60	0.87	1.04	1.11	1.74	1.04	1.13
L-Arginine	ME796449	0.62	1.01	1.08	1.02	1.51	1.23	1.37
L-isoleucyl-L-proline_2	ME796463	0.60	0.92	1.19	1.12	1.54	1.08	1.27
N-Acetyl-L-leucine	ME796421	0.53	1.18	1.27	0.69	1.75	1.01	1.37
Acetyl-CoA	ME796431	0.50	1.12	1.03	0.73	1.63	0.89	1.12
Slaframine	ME796403	0.78	1.02	0.89	0.86	1.70	1.04	1.13
N-Acetyl-L-leucine_1	ME796371	0.90	1.29	1.16	0.72	1.16	1.20	1.43
5-Aminolevulinate	ME796397	0.54	1.39	1.49	0.54	1.27	1.31	1.22
4-Methyl-2-oxopentanoate	ME795988	0.38	1.15	1.39	0.28	1.04	1.31	1.58
L-Glutamate_1	ME796390	0.54	1.09	1.58	0.51	1.23	1.37	1.57
L-thiazolidine-4-carboxylate_2	ME796523	0.30	1.42	1.24	1.20	0.59	1.13	1.16
Murrayanine	ME796093	0.52	0.70	1.43	0.93	1.15	1.10	1.23
GTP	ME796560	0.50	0.81	1.30	0.98	1.11	0.94	0.98
gamma-Glutamyl-beta-aminopropiononitrile_2	ME796072	0.68	0.93	1.21	0.95	1.25	0.92	1.08
Trp-Ala	ME796081	0.70	0.82	1.09	1.08	1.21	1.06	1.06
1(2H)-Isoquinolinone	ME796066	0.76	0.85	1.20	0.76	1.13	1.28	0.95
Ala-Met-Thr-Ser	ME796414	0.67	1.01	1.14	0.83	1.05	1.18	1.17
N5-formyl-N5-hydroxy-L-ornithine	ME796413	0.54	0.99	1.33	0.66	1.02	1.31	1.20
Indoleacrylicacid	ME796048	0.66	0.89	1.29	0.79	1.11	1.22	1.05
2-Acetyl-1,5,6,7-tetrahydro-6-hydroxy-7-(hydroxymethyl)-4H-azepine-4-one	ME796050	0.58	0.89	1.31	0.71	1.08	1.31	1.15
Brunfelsamidine_2	ME796042	0.64	0.90	1.28	0.71	1.11	1.27	1.12
4-Oxoproline	ME796395	0.78	0.92	1.33	0.76	1.39	1.25	1.45
N-Acetyl-L-histidine	ME796418	0.64	0.98	1.46	0.81	1.23	1.43	1.27
Glu-Glu	ME796192	0.17	0.90	1.22	1.37	0.94	1.00	1.54
L-beta-aspartyl-L-glutamicacid_2	ME796564	0.28	0.87	1.03	1.14	0.91	1.04	1.50
S-Acetyldihydrolipoamide	ME796198	0.37	0.91	1.14	0.94	0.90	0.88	1.51
Cys-Ser	ME796542	0.20	1.19	1.15	1.01	1.16	1.02	1.36
Koenigine	ME796513	0.31	1.14	1.00	1.00	1.19	1.15	1.27
Fagomine	ME796485	0.48	1.28	1.22	1.18	1.18	1.12	1.28
L-beta-aspartyl-L-leucine_3	ME796487	0.42	1.22	1.33	1.04	1.05	1.10	1.11
5^-Methylthioadenosine	ME796181	0.38	0.90	1.12	1.08	1.06	1.06	1.13
N3-(4-methoxyfumaroyl)-L-2,3-diaminopropanoate	ME796116	0.44	1.10	1.10	1.02	1.00	1.24	1.14
N-Acetylcystathionine	ME796482	0.39	1.03	1.25	0.93	1.06	1.22	1.14
N2-Succinyl-L-arginine	ME796479	0.47	1.06	1.17	1.09	0.86	1.14	1.27
Phe-Asp	ME796462	0.49	1.14	1.11	0.90	0.99	1.12	1.33
6-Butyryl-5,7-dihydroxy-8-(3^,3^-dimethylallyl)-4-phenylcoumarin	ME796471	0.42	0.96	1.26	0.88	1.35	0.92	1.28
Fagomine_3	ME796501	0.35	1.14	1.34	0.98	1.44	1.02	1.27
CoA	ME796176	0.20	1.28	1.41	1.07	1.29	1.17	1.41
Cystathionine	ME796556	0.15	1.01	1.38	0.98	1.22	1.13	1.18
FA hydroxy(4:0) N-(3S-hydroxy-butanoyl)-homoserine lactone_2	ME796112	0.57	1.15	1.57	1.32	0.98	0.90	1.19
CDP-ribitol	ME796505	0.43	1.03	1.21	1.25	0.97	0.91	1.26
Deoxycytidine	ME796535	0.27	1.00	1.44	1.27	0.89	0.99	1.20
Ile-Asn	ME796427	0.71	0.95	1.28	0.97	0.87	1.06	1.22
L-beta-aspartyl-L-alanine	ME796456	0.65	1.10	1.17	1.16	0.69	1.20	1.04
Steganacin	ME796147	0.46	1.04	1.26	1.15	0.77	1.18	1.01
Glu-Ala-Glu	ME796636	NA	0.59	1.35	NA	0.59	0.62	1.72
Ala-Phe-Cys-Gln	ME795924	0.76	0.86	0.79	0.46	0.42	1.04	2.26
betaine aldehyde hydrate	ME795894	0.79	0.92	1.15	0.58	NA	0.88	2.20
Indole_2	ME795912	0.94	1.24	1.32	0.56	0.58	1.03	2.09
N-dimethylethanolamine	ME796004	0.98	0.93	1.24	0.81	0.65	1.01	1.98
2-Methylcholine	ME796079	0.72	0.83	0.86	1.06	0.52	1.10	2.22
Lys-Val_1	ME796036	0.89	0.78	0.77	0.93	0.71	0.88	2.30
[PG (18:0)] 1-octadecanoyl-sn-glycero-3-phospho-(1^-sn-glycerol)	ME796446	0.77	0.91	0.90	0.84	0.65	0.81	1.99
deacetylcolchicine	ME796080	0.72	0.92	0.83	1.09	0.89	0.97	1.77
Lys-Val	ME796406	0.86	0.83	0.85	0.99	0.86	0.95	1.82
3-Phospho-D-glycerate	ME796557	0.14	0.46	1.42	0.91	1.66	1.26	2.18
UTP	ME796563	0.15	0.43	1.40	1.20	1.54	1.23	2.02
Mevalonic acid-5P	ME796357	0.32	1.05	1.36	0.23	1.01	1.22	2.08
Lys-Ser	ME796539	0.33	0.91	1.43	0.80	0.61	1.15	1.58
L-Cystine	ME796410	0.54	1.12	1.58	0.65	0.94	0.71	1.62
L-Glutamate	ME796440	0.53	0.98	1.40	0.83	1.06	0.97	1.64
gamma-L-Glutamyl-D-alanine	ME796530	0.18	0.93	1.19	0.58	1.03	1.00	2.19
Ala-Lys-Cys-His	ME796088	0.56	0.66	1.10	0.70	1.00	0.98	2.18
N6-Acetyl-N6-hydroxy-L-lysine_2	ME796130	0.31	0.81	1.29	0.86	0.97	1.00	2.01
(+)-pinoresinol	ME796443	0.50	0.93	1.22	0.81	0.91	0.85	2.04
L-Glutamate_2	ME796098	0.42	1.02	1.60	0.81	1.01	0.98	2.21
L-2-Aminoadipate_2	ME796141	0.33	1.07	1.40	1.03	1.12	0.90	2.12
S-Adenosyl-L-methionine	ME796536	0.26	1.09	1.31	1.21	1.03	1.05	2.05
GDP	ME796571	0.28	0.55	1.26	1.03	1.03	0.76	1.75
L-Arogenate	ME796575	0.20	0.58	1.05	0.89	0.97	0.98	1.98
Aspartyl-L-proline_2	ME796149	0.30	0.96	0.99	1.06	1.07	1.09	1.71
dihydrothymidine_2	ME796504	0.29	0.86	1.13	0.84	1.16	1.12	1.80
L-Aspartate	ME796506	0.22	0.84	1.23	0.65	1.08	1.24	1.98
Phe-Val-Tyr	ME796146	0.21	0.78	1.27	0.71	1.12	1.40	1.69
L-beta-aspartyl-L-threonine_2	ME796522	0.53	0.54	1.57	0.53	0.64	1.31	1.73
Mefenacet	ME796538	0.41	0.54	1.87	0.50	0.87	0.96	1.54
L-beta-aspartyl-L-alanine_3	ME796593	NA	0.40	1.22	0.53	1.25	0.96	1.85
Asn-Met-Ser-His	ME796214	NA	0.44	1.44	0.57	0.82	0.81	2.23
Glu-Glu_2	ME796476	0.22	0.60	1.89	0.49	1.02	1.00	2.06
phenyl-1-thio-β-D-galactopyranoside	ME796078	0.20	0.28	1.67	0.29	1.06	2.49	NA
UK-47265	ME796085	0.22	0.30	1.70	0.35	1.25	2.18	NA
N2-Acetyl-L-aminoadipate	ME796558	0.07	0.08	1.40	0.11	0.18	3.33	1.49
4-Imidazolone-5-propanoate	ME796493	0.06	0.21	1.58	0.16	1.40	2.54	1.08
N-(L-Arginino)succinate	ME796592	NA	0.15	1.21	0.22	1.17	2.28	0.95
N-Acetylornithine_2	ME796559	0.03	0.12	0.91	0.24	1.23	3.27	1.26
Ala-Ala-Ala-Asn	ME796507	0.07	0.22	1.41	0.22	0.96	2.89	1.30
Ile-Ala	ME796510	0.08	0.15	1.17	0.25	1.10	3.07	1.24
Ala-Leu-Ala-Gly	ME796596	NA	NA	0.60	0.26	0.32	2.91	0.88
gamma-Glutamyl-gamma-aminobutyraldehyde_2	ME796554	0.24	0.36	0.92	0.36	0.65	2.89	1.01
Ala-Ala-Asn-Gly	ME796252	NA	0.25	1.04	0.19	0.77	2.61	1.19
L-beta-aspartyl-L-leucine_1	ME796615	NA	0.21	1.01	0.22	0.59	2.54	1.05
Lys-Pro	ME796241	NA	0.18	1.00	0.29	0.57	2.47	0.85
LL-2,6-Diaminoheptanedioate	ME796186	0.30	0.26	1.68	0.49	0.76	1.58	1.05
N5-formyl-N5-hydroxy-L-ornithine_3	ME796206	0.08	0.13	1.77	0.42	1.02	1.88	1.06
N6-Acetyl-L-lysine_2	ME796151	0.13	0.44	1.86	0.48	1.12	2.22	1.32
(-)-Laudanidine	ME796160	0.13	0.14	1.89	0.55	1.22	1.82	1.32
L-Ornithine	ME796518	0.21	0.26	1.94	0.74	1.33	1.99	1.36
L-Lysine	ME796492	0.16	0.36	2.46	0.43	1.09	2.02	1.31
LL-2,6-Diaminoheptanedioate_2	ME796125	0.12	0.25	2.29	0.31	0.97	1.96	1.14
N6-Acetyl-N6-hydroxy-L-lysine	ME796441	0.22	0.35	2.25	0.35	0.82	1.92	1.11
6,7-Dimethyl-8-(1-D-ribityl)lumazine	ME796435	0.20	0.65	1.84	0.31	0.90	1.94	1.20
L-Histidine_5	ME795991	0.39	0.71	1.96	0.29	1.19	2.15	1.07
Vinylacetylglycine_1	ME796039	0.41	0.39	1.37	0.45	0.64	2.90	1.51
L-beta-aspartyl-L-leucine_2	ME796499	0.12	0.25	1.69	0.33	0.64	2.60	1.49
N6-Acetyl-L-lysine	ME796466	0.16	0.27	1.75	0.31	0.91	2.26	1.79
Pyrimidine nucleoside	ME796143	0.44	0.40	1.42	0.35	0.65	2.15	1.51
S-(3-oxo-3-carboxy-n-propyl)cysteine	ME796448	0.29	0.40	1.56	0.36	0.66	1.92	1.83
L-beta-aspartyl-L-serine	ME796600	NA	0.22	1.09	0.34	0.77	2.08	1.69
Ala-Ile-Ile-Val	ME796153	0.20	0.31	1.48	0.38	0.96	1.84	1.59
Succinyl-CoA	ME796604	NA	0.22	1.34	0.43	0.84	1.61	1.50
Ile-Ala-Ser	ME796516	0.48	0.62	0.96	0.84	0.56	1.86	1.57
Glu-Ala-Val	ME796512	0.28	0.30	1.19	0.89	0.61	2.26	1.64
N-Acetylornithine	ME796491	0.35	0.17	1.37	0.90	0.85	2.06	1.39
2-Ethyl-5-imino-1-cyclopenten-1-ol	ME796138	0.98	0.66	0.83	0.72	0.88	2.11	0.97
L-beta-aspartyl-L-leucine	ME796404	0.48	0.66	0.96	0.53	0.85	2.40	1.16
L-Histidine	ME796428	0.45	0.85	1.32	0.62	0.79	2.50	1.28
3-Amino-2-piperidone_2	ME796090	0.32	0.39	0.88	0.55	1.50	2.34	1.84
L-Citrulline	ME796562	0.05	0.16	0.81	0.39	1.70	2.54	1.81
Thymine_2	ME796498	0.35	0.37	1.32	0.96	1.22	2.34	1.22
4-Hydroxy-4-methylglutamate	ME796511	0.18	0.55	1.17	0.57	1.46	2.04	1.37
Hercynine	ME796159	0.17	0.37	0.95	0.70	1.34	2.36	1.14
Proclavaminic acid_2	ME796508	0.24	0.50	0.79	0.75	1.51	2.18	1.02
(S)-1-Pyrroline-5-carboxylate_1	ME796026	0.67	0.58	0.90	0.66	1.40	1.75	1.64
dihydrothymidine	ME796475	0.43	0.47	0.62	0.94	1.63	1.86	1.39
L-gamma-Glutamyl-L-hypoglycin	ME796582	0.12	0.30	0.57	0.83	1.49	1.83	1.26
3-Ethylmalate	ME796272	NA	NA	0.87	NA	1.35	0.93	0.81
CPPU	ME796281	NA	NA	0.72	NA	1.63	0.75	0.76
N-(1-Deoxy-1-fructosyl)phenylalanine	ME796289	NA	NA	0.90	NA	1.63	0.70	0.69
Niazicinin A	ME796637	NA	NA	1.00	NA	1.64	0.68	0.58
N-Acetyl-D-glucosamine	ME796621	NA	NA	1.60	0.59	0.45	1.23	0.76
Alpinine	ME796298	NA	NA	1.40	NA	0.80	0.84	0.75
D-Glucosamine 6-phosphate	ME796627	NA	NA	1.64	NA	0.65	0.82	0.85
L-beta-aspartyl-L-glutamicacid_1	ME796628	NA	0.26	1.55	NA	0.82	1.17	0.77
N-Succinyl-L-glutamate	ME796626	NA	NA	1.45	NA	0.38	1.04	0.76
Ile-Ile-Lys	ME796295	NA	NA	1.24	NA	0.73	1.15	0.83
Ile-Phe-Thr-Pro	ME796299	NA	NA	1.34	NA	0.62	1.20	0.78
Lys-Ala-Gly	ME796282	NA	NA	1.42	NA	0.57	1.23	0.70
4-Hydroxycitrulline	ME796274	NA	NA	0.75	NA	0.87	1.29	1.11
N5-formyl-N5-hydroxy-L-ornithine_1	ME796624	NA	NA	0.35	NA	0.73	2.16	0.67
Ala-Gly-Ser	ME796278	NA	NA	0.61	NA	0.94	1.69	0.68
N-Acetyl-L-citrulline	ME796625	NA	NA	0.42	NA	0.83	1.85	0.86
Ala-Leu-Gly-Gly	ME796619	NA	NA	0.89	0.20	0.25	1.79	1.13
Glu-Ala-Val_1	ME796616	NA	NA	0.87	0.39	0.32	1.93	1.00
Gamma-Glutamylglutamine_1	ME796629	NA	0.40	1.11	NA	0.58	1.68	0.91
Lys-Asn-Gly	ME796287	NA	0.41	0.95	NA	0.65	2.02	0.96
Arginyl-Hydroxyproline	ME796283	NA	NA	1.07	NA	0.60	1.47	0.80
Ile-Gly-His	ME796288	NA	NA	1.13	NA	0.47	1.53	0.82
N-Acetylmuramate	ME796284	NA	NA	1.05	NA	0.43	1.59	0.71
L-Cladinose	ME796273	NA	NA	0.63	NA	0.71	1.83	0.66
validoxylamine A	ME796293	NA	NA	0.77	NA	0.57	1.70	0.80
Ile-Gly-Met	ME796633	NA	NA	0.78	NA	0.53	1.93	0.68
Val-Gly-Arg	ME796290	NA	NA	0.77	NA	0.62	1.82	0.72
Ile-Arg-Gly	ME796294	NA	NA	0.94	NA	0.48	1.89	0.59
Ile-Gly-Lys	ME796632	NA	NA	1.03	NA	0.25	1.97	0.66
Dethiobiotin	ME796338	1.12	0.71	0.56	0.65	3.13	0.72	0.79
N-Acetyl-D-fucosamine_2	ME796540	0.28	0.55	0.36	1.04	2.91	0.53	1.19
L-gamma-Glutamyl-L-hypoglycin_1	ME796612	NA	0.52	0.33	0.93	1.15	1.71	0.87
2-Amino-9,10-epoxy-8-oxodecanoic acid	ME796231	NA	1.12	NA	0.75	1.22	1.38	0.99
Hydroxybutyrylcarnitine	ME796614	NA	0.87	NA	1.13	1.08	0.80	0.74
L-isoleucyl-L-proline_3	ME796470	0.56	0.31	0.34	1.13	2.74	1.61	1.09
Militarinone B	ME796468	0.48	0.34	0.43	0.95	2.40	1.38	1.04
Militarinone B_2	ME796543	0.21	0.26	0.41	1.06	2.44	1.52	1.14
6-Hydroxypseudooxynicotine	ME796200	0.10	0.30	0.63	1.10	2.53	1.88	1.25
S-adenosyl-1,8-diamino-3-thiooctane	ME796567	0.07	0.14	0.49	0.87	2.37	1.90	1.24
Dethiobiotin_3	ME796576	0.05	0.17	0.37	0.92	2.88	1.91	1.26
L-isoleucyl-L-proline	ME796158	0.22	0.39	0.46	0.90	2.82	2.02	0.88
9-mercaptodethiobiotin	ME796396	0.60	0.37	0.44	0.59	2.29	1.65	1.08
alpha-Ribazole	ME796333	1.03	0.46	0.40	0.58	1.90	1.66	0.97
Choline phosphate	ME796193	0.05	0.16	0.56	0.46	2.19	2.05	1.69
Butalbital	ME796195	0.26	0.25	0.46	0.58	1.85	1.98	1.07
gamma-Glutamyl-gamma-aminobutyraldehyde	ME796401	0.53	0.54	0.45	0.58	1.90	2.01	0.97
5-Hydroxytryptophol	ME796579	0.05	0.13	0.47	0.58	2.12	2.15	1.01
gamma-Glutamyl-beta-aminopropiononitrile	ME796203	0.04	0.14	0.38	0.67	2.35	2.25	1.22
L-isoleucyl-L-proline_4	ME796113	0.35	0.25	0.69	0.81	2.12	2.11	1.39
Slaframine_2	ME796086	0.47	0.35	0.59	0.75	1.99	2.19	1.23
Ala-Pro	ME796420	0.47	0.36	0.45	0.61	2.31	2.35	1.21
Slaframine_4	ME796148	0.22	0.29	0.55	0.75	2.26	2.50	1.13
Ala-Glu-Ala-Ile	ME796230	NA	0.17	0.24	0.44	2.65	1.31	0.70
Asn-Asn-Asn-Pro	ME796204	0.18	0.21	0.50	0.73	2.17	1.50	1.11
me-iP	ME796129	0.37	0.29	0.36	0.75	2.09	1.54	1.11
Ethyl 3-methyl-9H-carbazole-9-carboxylate	ME796220	NA	0.19	0.27	0.79	2.31	1.27	0.96
methoxy-PU	ME796585	0.04	0.18	0.49	0.97	2.18	1.39	1.02
5-Methoxytryptophol_1	ME796245	NA	0.41	0.56	0.56	1.72	1.49	0.97
Phenylethylmalonamide	ME796219	NA	0.41	0.61	0.76	1.77	1.26	0.86
3-Methyldioxyindole	ME796237	NA	0.15	0.34	0.53	1.72	1.70	0.88
Bellendine	ME796224	NA	0.16	0.32	0.56	1.91	1.85	0.98
Ethiofencarb	ME796210	NA	0.23	0.36	0.61	1.92	1.60	0.87
N-Hydroxy-2-acetamidofluorene	ME796208	NA	0.13	0.28	0.62	2.09	1.55	0.87
Lenacil	ME796228	NA	0.27	0.53	0.81	1.86	1.56	0.96
S-benzyl-D-cysteine	ME796222	NA	0.19	0.47	0.79	2.08	1.51	0.93
3-Methylbutanoyl-CoA	ME796594	NA	NA	0.58	1.17	1.26	0.87	0.90
Ala-Leu-Val-Ser	ME796209	NA	NA	NA	0.64	1.74	0.96	0.55
3-Methoxytyramine	ME796264	NA	NA	0.50	1.00	1.86	1.13	0.90
Asp-Val-Gly-Pro	ME796212	NA	NA	0.22	0.53	1.56	1.23	0.83
5-Methoxytryptophol	ME796247	NA	NA	0.51	0.71	1.42	1.30	0.91
Ala-Pro-Ser-Ser	ME796251	NA	NA	0.36	0.64	1.64	1.03	0.79
2,3-Diphenyl-1-indanone	ME796260	NA	NA	0.54	0.78	1.60	1.02	0.92
Ala-Phe-Thr-His	ME796221	NA	NA	0.39	0.78	1.62	1.00	0.88
Dethiobiotin_2	ME796128	0.26	0.72	1.28	0.70	2.44	1.07	1.31
Anthranilate	ME796202	0.10	0.33	1.01	1.33	1.77	1.99	1.28
ATP	ME796573	0.07	0.47	1.36	1.15	1.84	1.73	1.13
4-(Trimethylammonio)but-2-enoate	ME796188	0.23	0.66	1.26	1.62	1.65	1.11	1.25
O-Phospho-L-homoserine	ME796572	0.09	0.42	0.94	1.37	1.56	1.29	1.45
Acetone cyanohydrin	ME796233	NA	0.48	0.80	1.43	1.50	1.08	0.88
Zileuton	ME796205	0.08	0.40	0.69	1.55	1.97	1.24	1.11
3-Hydroxykynurenamine	ME796182	0.21	0.32	0.78	1.17	2.03	1.42	1.09
Methacholine	ME796196	0.13	0.41	0.94	1.23	1.90	1.29	1.14

Factors:

F1	treatment:C12-o-(BG-D)-10_1h
F2	treatment:C12-o-(BG-D)-10_3h
F3	treatment:C12-o-(BG-D)-10_6h
F4	treatment:Control_1h
F5	treatment:Control_3h
F6	treatment:Control_6h
F7	treatment:Pooled QC

Data matrix