Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for LC-MS Based Approaches to Investigate Metabolomic Differences in the Plasma of Young Women after Drinking Cranberry Juice or Apple Juice (Study ST000292)

ESI Positive mode (Analysis AN000466)

Metabolite	Structure	F1	F2	F3
Glycyrrhetinate	ME107183	0.33	3.21	0.10
L-Leucine_2	ME107275	0.02	2.95	0.03
S-Allyl-L-cysteine_5	ME107496	0.16	1.97	0.76
L-2,3-Dihydrodipicolinate	ME107237	0.03	2.45	0.40
Daimuron	ME107069	0.50	2.32	0.18
3,4-Dihydroxymandelate_1	ME106783	0.33	2.32	0.30
Beclomethasone	ME106970	0.48	2.24	0.28
Homogentisate	ME107195	0.40	2.24	0.32
4a-Hydroxytetrahydrobiopterin	ME106827	0.52	2.02	0.43
L-Methionine S-oxide_2	ME107279	0.70	1.97	0.32
Thiomorpholine 3-carboxylate_2	ME107537	0.70	2.00	0.31
Ampicillin	ME106948	2.00	0.00	NA
Murrayanine	ME107329	1.81	0.00	0.37
Apoatropine_1	ME106955	1.57	0.03	0.18
Hetacillin	ME107190	1.50	0.00	NA
1-Dehydro-9-fluoro-11-oxotestololactone	ME106715	2.08	0.22	0.65
11-Methoxy-vinorine	ME106707	2.20	0.25	0.55
Sinapyl alcohol	ME107503	2.25	0.22	0.53
Arbutin	ME106959	2.25	0.23	0.40
Carpacin	ME107008	2.36	0.17	0.47
Metformin	ME107310	2.44	0.08	0.97
Fluorene	ME107155	2.37	0.01	0.62
N-Cyclopropylammeline	ME107376	2.30	0.00	0.76
Serotonin	ME107501	2.65	0.01	0.46
3beta-Chloro-N,N-bis(2-chloroethyl)-androst-5-en-17beta-amine	ME106791	2.51	0.00	0.45
Fenpropathrin	ME107148	2.52	0.10	0.39
N-Acetylputrescine	ME107366	2.52	0.04	0.03
6-Hydroxypseudooxynicotine	ME106909	2.44	0.04	0.04
Apoatropine_2	ME106956	2.43	0.00	0.09
Diphenhydramine	ME107112	2.81	0.00	0.02
N-(Acetyloxy)benzenamine_2	ME107334	2.73	0.05	0.22
5-(2-Hydroxyethyl)-4-methylthiazole_1	ME106865	0.00	0.03	1.79
(E)-4-(Trimethylammonio)but-2-enoate_5	ME106686	0.06	0.19	2.74
Suberic acid_2	ME107513	0.07	0.07	2.86
5-(2-Hydroxyethyl)-4-methylthiazole_2	ME106866	0.04	0.43	2.36
QUINATE_1	ME107484	0.18	0.28	2.54
Homostachydrine_5	ME107200	0.20	0.35	2.46
QUINATE_2	ME107485	0.25	0.30	2.45
5-Ureido-4-imidazole carboxylate	ME106901	0.37	0.42	2.21
Crotanecine_2	ME107045	0.41	0.33	2.25
Toluene-cis-dihydrodiol_2	ME107543	0.22	0.44	2.35
Hippurate	ME107192	0.34	0.38	2.29
4,8-Dihydroxyquinoline_2	ME106821	0.28	0.35	2.37
Indole_3	ME107210	0.30	0.35	2.35
Androsterone glucuronide	ME106950	0.77	1.37	0.09
5-Hydroxy-L-tryptophan_4	ME106895	0.95	1.11	NA
Distigmine	ME107113	1.04	0.98	NA
Debrisoquin	ME107072	1.73	1.29	0.02
Emedastine	ME107127	2.10	0.83	0.62
Calcitriol	ME106999	1.83	0.88	0.30
Rehmaionoside C	ME107486	1.84	0.95	0.28
Carbamorph	ME107007	1.73	1.00	0.36
L-Asparagine	ME107247	1.68	0.92	0.40
21,22-Diprenylpaxilline_1	ME106737	1.42	0.76	0.82
Montanin A	ME107327	1.38	0.79	0.82
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_2	ME106796	1.49	0.75	0.76
p-Cumate	ME107441	1.52	0.69	0.79
(8Z,11Z,14Z)-Icosatrienoic acid	ME106675	1.51	0.63	0.86
Isobutyronitrile_3	ME107225	1.47	0.64	0.88
Coniferyl alcohol_2	ME107035	1.41	0.72	0.87
2-Amino-9,10-epoxy-8-oxodecanoic acid_2	ME106742	1.46	0.67	0.87
Diethyl sulfate	ME107094	1.43	0.68	0.86
2-Amino-9,10-epoxy-8-oxodecanoic acid_1	ME106741	1.43	0.84	0.73
Prenol	ME107471	1.41	0.88	0.71
5-Acetamidopentanoate_7	ME106878	1.44	0.89	0.67
L-2-Aminoadipate_1	ME107239	1.43	0.94	0.63
2^-Dehydrokanamycin A	ME106747	1.47	1.12	0.57
Sodium ortho-phenylphenate	ME107504	1.46	0.99	0.55
Terpendole G	ME107534	1.87	0.66	0.47
N-(Acetyloxy)benzenamine_1	ME107333	2.06	0.40	0.54
D-Octopine_1	ME107117	1.98	0.49	0.53
O-Butanoylcarnitine_2	ME107417	2.00	0.52	0.51
(9Z)-Hexadecenoic acid_2	ME106677	1.71	0.49	0.80
Oleoylethanolamide	ME107421	1.70	0.52	0.78
O-Propanoylcarnitine_2	ME107423	1.72	0.61	0.68
5beta-Scymnol sulfate	ME106885	1.80	0.62	0.67
Taxa-4(20),11(12)-dien-5alpha-yl acetate_2	ME107532	1.81	0.58	0.62
p-Benzosemiquinone	ME107440	1.87	0.16	0.91
O-Propanoylcarnitine_3	ME107424	1.87	0.35	0.71
Bombykal	ME106988	1.94	0.39	0.67
Cilastatin	ME107019	1.93	0.36	0.70
alpha-Tocopherol	ME106945	1.75	0.32	0.92
Furathiocarb	ME107158	1.84	0.39	0.77
9-Fluoro-16alpha-hydroxyandrost-4-ene-3,11,17-trione	ME106919	1.82	0.35	0.83
Cyphenothrin	ME107063	1.81	0.33	0.87
Carbamazepine	ME107006	1.17	NA	0.91
Transfluthrin	ME107551	1.15	NA	0.56
Lophocerine	ME107281	1.72	0.22	1.37
3-(2-Hydroxyphenyl)propanoate_2	ME106773	1.40	0.16	1.43
Bis(2-chloroethyl)ether_2	ME106987	1.35	0.35	1.30
Indole-3-acetaldehyde_2	ME107213	1.38	0.29	1.33
Nalidixic acid_5	ME107371	1.03	0.50	1.47
Stovaine_2	ME107510	1.21	0.27	1.51
D-Alanyl-D-alanine_1	ME107070	1.14	0.37	1.53
L-Glutamate	ME107260	1.15	0.41	1.44
3-Aminopropanesulfonate	ME106790	0.60	0.61	1.78
D-Lysopine_3	ME107116	0.67	0.72	1.69
Toluene-cis-dihydrodiol_3	ME107544	0.47	0.61	1.92
5-Aminolevulinate_3	ME106881	0.46	0.73	1.81
Calystegin B2_4	ME107005	0.43	0.79	1.77
Shikimate	ME107502	0.31	1.06	1.68
Cytosine_2	ME107066	0.43	1.00	1.57
4-Chloroacetanilide	ME106835	0.46	0.85	1.65
CYTIDINE	ME107064	0.43	0.92	1.64
Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate_2	ME107092	0.44	0.93	1.69
D-Glucosamine	ME107084	0.57	0.87	1.57
(-)-Glyceollin I	ME106649	0.56	0.90	1.54
NICOTINATE	ME107390	0.58	0.92	1.51
PYRIDOXINE	ME107483	0.59	0.90	1.51
3-METHYLADENINE	ME106804	0.54	0.80	1.65
Stovaine_1	ME107509	0.63	0.78	1.57
Bergaptol_2	ME106977	0.67	0.26	2.03
7-Dehydrodesmosterol	ME106912	0.57	0.41	2.02
(-)-Jasmonic acid	ME106650	0.68	0.39	1.94
2-Furoate_2	ME106753	0.78	0.70	1.52
Cortisone	ME107038	0.75	0.69	1.55
Apraclonidine	ME106957	0.84	0.40	1.46
2,6-Diamino-7-hydroxy-azelaic acid	ME106736	0.91	0.42	1.67
N-Acetylmethionine	ME107360	0.96	0.42	1.66
Cycasin_1	ME107052	0.84	0.56	1.64
Metipranolol	ME107325	0.80	0.46	1.76
Nebularine	ME107377	0.66	1.23	0.86
4-Hydroxybutanoic acid_2	ME106848	0.65	1.51	0.84
Castanospermine_3	ME107011	0.71	1.45	0.84
N-Methylpelletierine_1	ME107404	0.71	1.44	0.86
3,4-Dihydroxymandelate_2	ME106784	0.83	1.45	0.66
Corticosterone	ME107036	0.80	1.50	0.70
N-Isopropylammelide_3	ME107394	0.86	1.38	0.76
Homostachydrine_4	ME107199	0.92	1.37	0.71
Glycerone_1	ME107170	0.90	1.35	0.75
Tussilagine_3	ME107560	0.93	1.34	0.73
Cycloheptanecarboxylic acid_2	ME107055	0.80	1.40	0.80
Cinnamaldehyde	ME107020	0.82	1.35	0.83
L-Leucine_1	ME107274	0.83	1.33	0.84
Hydrocortisone succinate	ME107201	0.86	1.65	0.55
Thiomorpholine 3-carboxylate_3	ME107538	0.99	1.57	0.25
8-Hydroxyalanylclavam	ME106916	1.38	1.29	0.37
D-SORBITOL	ME107122	1.07	1.37	0.57
Mannitol_2	ME107305	1.10	1.39	0.50
5-Hydroxyindoleacetylglycine	ME106889	0.47	1.29	1.24
D-Octopine_2	ME107118	0.45	1.33	1.16
4-GUANIDINOBUTANOATE	ME106842	0.72	1.10	1.17
ADENINE	ME106929	0.74	1.09	1.17
Adenine	ME106930	0.76	1.06	1.18
Nalidixic acid_1	ME107367	0.76	1.04	1.20
4-Methylene-L-glutamate	ME106855	0.70	1.16	1.15
p-Benzoquinone_2	ME107439	0.76	1.16	1.09
4-Maleylacetoacetate	ME106853	0.74	1.15	1.11
Methylguanidine	ME107321	0.72	1.14	1.12
3-Ethoxyandrosta-3,5-dien-17beta-ol propanoate_1	ME106795	0.64	1.19	1.17
(S)-ATPA_2	ME106693	0.58	1.22	1.19
2-Hydroxy-2,4-pentadienoate_2	ME106756	0.76	1.21	1.03
Rishitin	ME107489	0.80	1.19	1.02
Ureidoacrylate	ME107566	0.72	1.27	1.01
Glycocholate	ME107175	0.69	1.25	1.06
2,2-Dimethyl-8-prenylchromene 6-carboxylic acid	ME106728	0.68	1.28	1.03
2-Hydroxypyridine	ME106763	0.66	1.29	1.05
Glycodeoxycholate_1	ME107176	0.63	1.26	1.12
3-Methyl-2-oxobutanoic acid_2	ME106803	0.68	1.23	1.09
Porphobilinogen	ME107468	0.69	1.21	1.11
N-Methylpelletierine_2	ME107405	0.50	1.16	1.34
6-Methylmercaptopurine	ME106911	0.49	1.13	1.39
3,4-Dihydroxyphthalate	ME106785	0.49	1.10	1.41
SUCROSE	ME107521	0.49	1.10	1.41
Phenacetin	ME107447	0.58	1.06	1.36
Fexofenadine_4	ME107153	0.60	1.07	1.34
L-Lysine 1,6-lactam	ME107276	0.62	1.06	1.32
2^-DEOXYGUANOSINE	ME106748	0.72	1.04	1.24
Catechol_2	ME107013	0.67	1.06	1.27
cis-Aconitate	ME107029	0.66	1.06	1.28
Taurocyamine	ME107530	0.67	1.14	1.28
Tussilagine_2	ME107559	0.67	1.12	1.20
Furmecyclox	ME107162	1.15	0.55	1.34
1,4^-Bipiperidine-1^-carboxylic acid_3	ME106703	1.08	0.68	1.24
Glycyl-leucine_2	ME107179	1.08	0.67	1.25
L-Octanoylcarnitine	ME107280	1.06	0.64	1.30
O-Decanoyl-L-carnitine	ME107420	1.10	0.64	1.26
Feruloylputrescine	ME107149	1.10	0.62	1.28
Mannopine	ME107306	1.09	0.62	1.29
3-(Dimethylamino)propyl benzoate_2	ME106775	0.98	0.61	1.40
Tabtoxinine-beta-lactam_1	ME107526	1.03	0.63	1.33
Methyl 2-diazoacetamidohexonate_1	ME107312	1.02	0.62	1.36
Tabtoxinine-beta-lactam_3	ME107528	1.04	0.61	1.35
4-Hexyloxyphenol	ME106843	0.85	0.79	1.37
3-Isopropylcatechol_2	ME106800	0.82	0.75	1.43
N2-Acetyl-L-aminoadipate	ME107340	0.85	0.75	1.40
14-Dihydroxycornestin	ME106708	0.96	0.70	1.34
Cyclohexane-1,3-dione_2	ME107058	0.95	0.68	1.37
Etomidate	ME107140	0.91	0.68	1.40
Fexofenadine_2	ME107151	0.88	0.72	1.40
D-Alanyl-D-alanine_2	ME107071	0.90	0.84	1.26
delta-Guanidinovaleric acid_2	ME107079	0.90	0.82	1.27
Aromatic aldehyde_5	ME106965	0.93	0.83	1.25
Dimethylenetriurea	ME107110	0.93	0.80	1.26
Ethyl cinnamate	ME107136	0.93	0.80	1.27
5^-Methylthioadenosine	ME106896	0.92	0.71	1.25
Phenyl acetate	ME107451	0.92	0.77	1.31
GLYCEROL	ME107168	0.96	0.77	1.27
Propanoate	ME107473	0.95	0.77	1.29
2-Aminophenol_2	ME106746	0.99	0.73	1.28
N-Cyclohexylformamide_3	ME107375	0.99	0.73	1.28
Glycerol	ME107169	0.97	0.74	1.29
5-Aminolevulinate_2	ME106880	0.97	0.73	1.30
(9Z)-Octadecenoic acid	ME106679	0.96	0.74	1.30
L-Albizziine_2	ME107243	1.04	0.74	1.22
L-Tyrosine_2	ME107296	1.04	0.76	1.21
L-2,4-Diaminobutanoate	ME107238	1.04	0.71	1.25
21,22-Diprenylpaxilline_2	ME106738	1.08	0.71	1.21
Nalidixic acid_3	ME107369	1.06	0.72	1.22
Otonecine_2	ME107429	1.03	0.78	1.19
Piperidione_3	ME107464	1.03	0.78	1.18
Glycyl-leucine_3	ME107180	1.05	0.79	1.16
Tabtoxinine-beta-lactam_2	ME107527	1.03	0.81	1.16
beta-Carboline_3	ME106981	0.97	0.82	1.21
p-Xylene	ME107478	0.98	0.83	1.19
Dikegulac	ME107105	0.99	0.80	1.21
(-)-Limonene_1	ME106651	0.99	0.78	1.23
Dehydroalanine_4	ME107077	0.81	1.01	1.18
Paramethadione_1	ME107434	0.85	1.00	1.15
N-Acetylornithine_4	ME107364	0.83	1.00	1.16
Piperidione_1	ME107462	0.83	1.00	1.17
O-Butanoylcarnitine_1	ME107416	0.89	0.94	1.17
S-Allyl-L-cysteine_2	ME107493	0.89	0.95	1.16
Linamarin_1	ME107267	0.87	1.00	1.13
N-Acetyl-L-leucine_1	ME107354	0.87	1.00	1.13
N-Acetyl-L-leucine_3	ME107356	0.87	0.98	1.15
L-ALLOTHREONINE	ME107244	0.88	0.98	1.14
3-Methylguanine_1	ME106809	0.89	0.97	1.14
L-Pipecolate_4	ME107287	0.89	0.97	1.14
URACIL	ME107564	0.78	0.99	1.22
Penitrem D_2	ME107444	0.78	0.99	1.24
Crotanecine_1	ME107044	0.77	0.99	1.23
Diethyl 2-methyl-3-oxosuccinate	ME107093	0.76	1.00	1.23
5-Hydroxy-L-tryptophan_1	ME106892	0.87	0.91	1.23
Isovalerylcarnitine	ME107233	0.86	0.91	1.24
Vanillyl alcohol	ME107571	0.83	0.97	1.20
Trimethylamine N-oxide	ME107554	0.82	0.92	1.25
alpha,beta-Didehydrotryptophan	ME106935	0.84	0.94	1.22
Phosphoagmatine	ME107455	0.84	0.95	1.24
N-Formyl-4-amino-5-aminomethyl-2-methylpyrimidine	ME107383	0.81	0.96	1.23
N-Nitrosopiperidine_2	ME107409	0.81	0.97	1.22
5,6-Dihydrouracil	ME106871	0.80	0.96	1.25
3-Methyleneoxindole_3	ME106808	0.82	0.95	1.24
8-Amino-7-oxononanoate_3	ME106915	0.81	0.94	1.25
EDTA	ME107126	0.77	0.81	1.25
Nalidixic acid_4	ME107370	0.84	0.84	1.32
Metaxalone	ME107309	0.62	0.94	1.43
Glycyl-leucine_5	ME107182	0.69	0.93	1.38
N-ACETYLPUTRESCINE	ME107365	0.67	0.91	1.42
Indospicine_2	ME107221	0.75	0.85	1.39
2,5-Furandicarboxylate	ME106735	0.71	0.87	1.40
THYMINE	ME107540	0.73	0.85	1.42
CITRATE	ME107030	0.75	0.94	1.32
Glycyl-leucine_4	ME107181	0.75	0.88	1.37
N-Acetyl-D-tryptophan	ME107348	0.77	0.89	1.34
N-Acetyl-L-phenylalanine	ME107359	0.76	0.89	1.35
Digallate	ME107098	1.24	1.07	0.79
Retronecine	ME107487	1.22	1.03	0.76
alpha-Oxo-benzeneacetic acid	ME106940	1.16	1.05	0.80
cis-2-Carboxycyclohexyl-acetic acid_1	ME107027	1.13	1.05	0.82
N-Methyl-2-pyrrolidinone_1	ME107397	1.17	1.08	0.75
S-Allyl-L-cysteine_4	ME107495	1.11	1.07	0.72
Deoxycytidine	ME107081	1.11	1.21	0.68
1,4^-Bipiperidine-1^-carboxylic acid_2	ME106702	1.12	1.11	0.77
Estradiol-17beta 3-sulfate	ME107130	1.08	1.11	0.81
Mandelonitrile_2	ME107303	1.07	1.11	0.83
3-(Dimethylamino)propyl benzoate_3	ME106776	1.08	1.14	0.79
Urocanate_1	ME107569	1.08	1.15	0.77
Sodium sulfate	ME107505	1.05	1.19	0.76
Methyl acetyl ricinoleate	ME107315	1.04	1.14	0.82
Prenyl caffeate	ME107472	1.04	1.14	0.82
4-Dodecylphenol_2	ME106837	1.02	1.17	0.81
S-Allyl-L-cysteine_1	ME107492	1.02	1.18	0.80
Glutarate_2	ME107165	1.01	1.16	0.83
Styrene	ME107511	1.00	1.17	0.84
2,5-Dioxopentanoate	ME106734	0.90	0.89	1.21
Indole-3-acetate_2	ME107216	0.91	0.89	1.20
Bilirubin	ME106985	0.95	0.85	1.20
Sebacic acid_3	ME107500	0.95	0.86	1.20
5-Hydroxy-L-tryptophan_3	ME106894	0.93	0.86	1.21
Pseudopelletierine	ME107476	0.92	0.87	1.22
5-Acetamidopentanoate_5	ME106876	1.01	0.85	1.14
Fasoracetam	ME107146	1.02	0.84	1.13
N-Cyclohexylformamide_2	ME107374	0.99	0.84	1.16
2-Hydroxyamino-1-methyl-6-phenylimidazo[4,5-b]pyridine	ME106757	0.99	0.86	1.15
L-Histidinol_1	ME107264	0.99	0.87	1.14
N-Methyl-2-pyrrolidinone_4	ME107400	1.00	0.87	1.14
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate_2	ME106788	0.93	0.90	1.17
4-Oxoproline_2	ME106860	0.92	0.90	1.17
2,3-Dimethylmaleate_2	ME106731	0.93	0.91	1.16
Coumarin_2	ME107040	0.94	0.90	1.16
Allophanic acid methyl ester	ME106934	0.96	0.88	1.16
Pirbuterol	ME107466	0.95	0.88	1.16
Piperidione_4	ME107465	0.96	0.89	1.15
Coniferyl alcohol_1	ME107034	0.97	0.89	1.14
2-Ethylhexyl phthalate_3	ME106751	0.97	0.88	1.15
Apiole_1	ME106953	0.97	0.88	1.15
cis-1,2-Dihydro-3-ethylcatechol_2	ME107022	0.97	0.91	1.12
Prekinamycin	ME107470	0.98	0.89	1.13
3-Methyleneoxindole_1	ME106806	1.08	0.84	1.07
Paramethadione_2	ME107435	1.07	0.85	1.08
Ripazepam	ME107488	1.06	0.83	1.11
5-Hydroxyisourate_2	ME106891	1.07	0.84	1.09
N-Nitrosoguvacoline_1	ME107406	1.07	0.83	1.10
Ethosuximide_5	ME107135	1.01	0.89	1.10
Methylimidazoleacetic acid_2	ME107323	1.01	0.88	1.11
5,6-Dihydrothymine_3	ME106869	1.03	0.87	1.10
Fagomine_3	ME107144	1.02	0.86	1.12
Aromatic aldehyde_4	ME106964	1.03	0.86	1.11
Diisopropyl phthalate_1	ME107103	1.03	0.86	1.12
L-Tryptophan_2	ME107294	1.03	0.89	1.07
Fenoldopam	ME107147	1.04	0.88	1.08
Glycodeoxycholate_2	ME107177	1.03	0.89	1.09
Burseran	ME106997	1.06	0.87	1.07
Chrysoidine free base	ME107017	1.05	0.87	1.08
Callytriol C	ME107001	1.05	0.85	1.10
Ectoine	ME107125	1.05	0.86	1.09
ALLANTOIN	ME106933	0.94	0.93	1.13
Aromatic aldehyde_3	ME106963	0.95	0.92	1.13
Homostachydrine_2	ME107197	0.92	0.95	1.12
Isoquinoline_6	ME107231	0.92	0.94	1.13
(3S,5S)-Carbapenam-3-carboxylic acid	ME106667	0.95	0.94	1.11
cis-1,2-Dihydro-3-ethylcatechol_1	ME107021	0.94	0.95	1.12
Toluene-cis-dihydrodiol_1	ME107542	0.93	0.96	1.11
Pyridoxamine_1	ME107481	1.02	0.94	1.05
1-Methyladenosine	ME106717	1.01	0.94	1.05
Methaphenilene	ME107311	1.01	0.94	1.05
5-Valerolactone_2	ME106903	1.00	0.95	1.05
2-Hydroxycyclohexan-1-one_2	ME106759	0.99	0.94	1.06
beta-Carboline_4	ME106982	1.00	0.94	1.06
Cytosine_1	ME107065	1.00	0.94	1.06
4-Pyridoxate	ME106861	1.00	0.93	1.08
(-)-Sympatol_1	ME106657	0.99	0.93	1.08
Cerulenin	ME107015	1.01	0.92	1.07
Isoquinoline_5	ME107230	1.02	0.91	1.07
5-Aminolevulinate_1	ME106879	0.98	0.92	1.10
L-Pipecolate_2	ME107285	0.98	0.92	1.10
Furfural diethyl acetal_2	ME107160	0.97	0.94	1.09
Hypaphorine	ME107202	0.97	0.93	1.10
Janthitrem C_1	ME107235	0.97	0.95	1.08
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_1	ME106688	0.98	0.95	1.07
N-Phosphohypotaurocyamine	ME107412	0.98	0.95	1.07
3-Methylguanine_2	ME106810	0.98	0.95	1.07
Indole-3-acetate_1	ME107215	0.98	0.95	1.07
Isoquinoline_3	ME107228	0.97	0.97	1.07
O-Propanoylcarnitine_1	ME107422	0.96	0.96	1.08
CITRULLINE	ME107031	1.17	0.91	0.92
Gymnodimine	ME107188	1.19	0.90	0.91
Dimethachlor_1	ME107107	1.16	0.88	0.96
Dehydroalanine_2	ME107075	1.15	0.90	0.94
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid_1	ME106680	1.16	0.89	0.95
(3-Arylcarbonyl)-alanine	ME106666	1.15	0.90	0.95
4-Methylene-L-glutamine_1	ME106856	1.16	0.90	0.95
Netilmicin	ME107381	1.14	0.94	0.92
O-Ureido-L-serine	ME107430	1.15	0.92	0.94
Succinate_2	ME107517	1.15	0.92	0.92
Ethosuximide_2	ME107132	1.11	0.92	0.97
Cyclohexane-1,3-dione_3	ME107059	1.11	0.92	0.98
4-Acetamidobutanoate_3	ME106824	1.11	0.91	0.98
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_3	ME106671	1.11	0.91	0.98
5-Acetamidopentanoate_2	ME106873	1.13	0.90	0.97
(9Z)-Hexadecenoic acid_1	ME106676	1.12	0.91	0.97
10,16-Dihydroxyhexadecanoic acid	ME106704	1.12	0.92	0.95
Acetone cyanohydrin_1	ME106924	1.12	0.92	0.96
Castanospermine_2	ME107010	1.11	0.93	0.96
N-Acetyl-L-leucine_5	ME107358	1.10	0.93	0.97
Indan-1-ol	ME107207	1.09	0.95	0.96
Octanoic acid	ME107418	1.10	0.95	0.95
3-(Imidazol-4-yl)-2-oxopropyl phosphate_1	ME106777	1.10	0.98	0.92
Anthranilate	ME106952	1.12	0.95	0.94
ZAPA	ME107577	1.12	0.96	0.92
3-Oxo-5beta-cholanate_2	ME106813	1.11	1.02	0.87
N-Heptanoylhomoserine lactone	ME107386	1.10	1.00	0.90
(9Z,12Z)-(8R)-Hydroxyoctadeca-9,12-dienoic acid_2	ME106681	1.10	1.00	0.89
Istamycin C1	ME107234	1.11	1.00	0.89
Tris(butoxyethyl)phosphate	ME107555	1.11	1.00	0.89
Tropinone	ME107556	1.08	1.03	0.90
(E)-4-(Trimethylammonio)but-2-enoate_4	ME106685	1.07	1.06	0.87
HYPOXANTHINE	ME107203	1.07	1.05	0.88
Dimethachlor_2	ME107108	1.16	1.02	0.87
Diisopropyl phthalate_2	ME107104	1.16	0.97	0.87
1^-Acetoxychavicol acetate	ME106710	1.15	0.95	0.90
Fexofenadine_3	ME107152	1.16	0.95	0.89
Flumethasone	ME107154	0.99	1.07	0.87
Methyl 2-diazoacetamidohexonate_3	ME107314	1.03	1.09	0.88
(10S)-Juvenile hormone III diol	ME106665	1.04	1.08	0.88
delta-Guanidinovaleric acid_1	ME107078	1.04	1.07	0.89
Diethylthiophosphoric acid	ME107097	1.00	1.10	0.91
Nitrofurazone_2	ME107396	0.99	1.09	0.92
Glycine	ME107174	1.00	1.07	0.92
cis-1,2-Dihydronaphthalene-1,2-diol_1	ME107023	1.01	1.07	0.92
cis-2-Carboxycyclohexyl-acetic acid_2	ME107028	1.01	1.07	0.92
Orcinol	ME107426	1.01	1.09	0.90
Pyridostigmine	ME107479	1.01	1.08	0.91
Benzyl nicotinate	ME106975	1.02	0.99	0.92
2-Aminomuconate	ME106743	1.05	1.04	0.91
L-Aspartate 4-semialdehyde_1	ME107249	1.05	1.04	0.91
9-Oxononanoic acid	ME106920	1.04	1.04	0.92
Diethylene glycol_1	ME107095	1.04	1.05	0.92
Isoquinoline_4	ME107229	1.04	1.06	0.90
(+)-Camphor_3	ME106661	1.02	1.06	0.91
D-Glucose_1	ME107085	1.03	1.06	0.91
L-Aspartate	ME107248	1.03	1.06	0.91
3-(Dimethylamino)propyl benzoate_1	ME106774	1.03	1.02	0.95
4-Carboxy-4-hydroxy-2-oxoadipate	ME106834	1.04	1.02	0.95
2-Aminomuconate semialdehyde	ME106744	1.01	1.03	0.96
Ancitabin hydrochloride	ME106949	1.02	1.03	0.95
Succinimide_1	ME107519	1.02	1.03	0.95
L-ASPARAGINE	ME107246	1.02	1.05	0.93
N-ACETYLGLYCINE	ME107349	1.02	1.05	0.93
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_1	ME106669	1.01	1.05	0.93
L-Methionine	ME107277	1.01	1.05	0.94
Creatine	ME107042	1.03	1.04	0.93
Nitrofurazone_1	ME107395	1.03	1.04	0.93
Dinotefuran	ME107111	1.03	1.03	0.94
Methylimidazoleacetic acid_1	ME107322	1.03	1.03	0.94
Ornaline	ME107427	1.08	0.92	0.99
ALPHA-AMINOADIPATE	ME106936	1.09	0.93	0.99
beta-Carboline_1	ME106979	1.08	0.93	0.99
(E)-4-(Trimethylammonio)but-2-enoate_3	ME106684	1.08	0.93	0.99
(-)-Columbianetin	ME106648	1.09	0.94	0.98
epsilon-Caprolactam_2	ME107129	1.09	0.94	0.97
N5-Phenyl-L-glutamine_1	ME107341	1.08	0.94	0.98
Acetone cyanohydrin_3	ME106926	1.07	0.95	0.98
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_2	ME106689	1.07	0.94	0.98
Apiole_2	ME106954	1.06	0.95	0.99
Methyleugenol_1	ME107317	1.06	0.94	0.99
Cortisol	ME107037	1.06	0.94	1.00
Maleamate	ME107301	1.06	0.94	1.00
L-Pipecolate_1	ME107284	1.06	0.93	1.01
Phendimetrazine_1	ME107448	1.06	0.94	1.01
Ethosuximide_1	ME107131	1.06	0.92	1.02
2-Oxobutanoate_2	ME106767	1.05	0.93	1.02
Isoquinoline_2	ME107227	1.06	0.93	1.02
METHYL INDOLE-3-ACETATE	ME107316	1.08	0.91	1.01
1-O-Hexadecyl-lyso-sn-glycero-3-phosphocholine	ME106720	1.07	0.92	1.01
2-Hydroxy-1,4-benzoquinone	ME106754	1.07	0.93	1.00
5-Oxoavermectin ^^1a^^ aglycone	ME106899	1.03	0.93	1.04
Piperidine_1	ME107460	1.03	0.94	1.03
N6-(delta2-Isopentenyl)-adenine	ME107343	1.06	0.90	1.04
Benzofuran_1	ME106972	1.06	0.90	1.05
L-CYSTEIC ACID	ME107254	1.06	0.89	1.05
4-Acetamidobutanoate_2	ME106823	1.04	0.90	1.05
4-Hydroxy-2-butynal_2	ME106845	1.05	0.91	1.04
3-Oxo-5beta-cholanate_1	ME106812	1.04	0.92	1.04
C20913	ME106998	1.04	0.92	1.04
Buddledin A_2	ME106994	1.05	0.99	0.96
Succinimide_2	ME107520	1.05	0.99	0.96
3-Butylidene-7-hydroxyphthalide	ME106793	1.06	0.99	0.95
Cidofovir	ME107018	1.06	0.99	0.96
3-(2-Hydroxyphenyl)propanoate_1	ME106772	1.06	0.98	0.96
(-)-Menthyl acetate_3	ME106656	1.06	0.98	0.96
N-Isopropylammelide_1	ME107392	1.08	0.97	0.95
Aniflorine	ME106951	1.07	0.97	0.96
Acetone cyanohydrin_2	ME106925	1.07	0.98	0.95
cis-2,3-Dihydroxy-2,3-dihydro-p-cumate	ME107026	1.07	0.98	0.96
Phenmetrazine	ME107450	1.06	1.00	0.93
N-Formimino-L-glutamate	ME107382	1.08	0.99	0.93
N-Methyl-2-pyrrolidinone_2	ME107398	1.08	0.98	0.94
gamma-Coniceine	ME107163	1.04	0.99	0.97
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid ethyl ester_2	ME106670	1.04	1.01	0.96
Tyramine_2	ME107562	1.04	1.00	0.96
1-Pyrroline-2-carboxylate_3	ME106724	1.04	1.00	0.96
(-)-Sympatol_2	ME106658	1.04	1.00	0.96
Bakkenolide A	ME106968	1.03	1.00	0.97
Nicotinamide	ME107389	1.03	1.00	0.97
alpha-Sinensal_1	ME106941	1.03	1.00	0.98
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate_1	ME106787	1.02	1.00	0.98
Homostachydrine_3	ME107198	1.02	1.00	0.98
N-ACETYL-L-ALANINE	ME107352	1.02	0.99	0.99
Glutathione	ME107167	1.02	0.99	0.99
(-)-Menthyl acetate_1	ME106654	1.02	0.99	0.99
Phthalate	ME107457	1.03	0.99	0.98
Betamethasone	ME106984	1.04	0.98	0.98
2-Ethylhexyl phthalate_2	ME106750	1.03	0.98	0.99
3-Oxododecanoic acid_1	ME106814	1.03	0.98	0.98
Botrydial_2	ME106992	1.03	0.95	1.01
Tos-Lys-CH2Cl	ME107547	1.03	0.96	1.01
9,12,13-TriHOME_2	ME106918	1.03	0.96	1.01
Buddledin A_1	ME106993	1.03	0.96	1.01
8-Amino-7-oxononanoate_2	ME106914	1.04	0.95	1.00
alpha-Sinensal_4	ME106944	1.04	0.95	1.01
Calystegin B2_2	ME107003	1.04	0.96	1.00
L-Tryptophan_1	ME107293	1.04	0.96	1.01
Deethylatrazine	ME107073	1.03	0.96	1.00
Phytuberin_2	ME107459	1.03	0.97	1.00
Phytuberin_1	ME107458	1.03	0.97	1.00
Buddledin A_3	ME106995	1.03	0.97	1.00
Nicotyrine	ME107391	1.03	0.97	1.00
Cucurbic acid_1	ME107046	1.02	0.97	1.01
Fumarate	ME107157	1.03	0.98	1.00
Tolylacetonitrile_1	ME107545	1.02	0.98	1.00
Botrydial_1	ME106991	1.02	0.98	1.00
2,5-Dichloro-4-oxohex-2-enedioate	ME106733	1.02	0.98	1.00
alpha-Sinensal_3	ME106943	1.02	0.98	1.00
cis-1,2-Dihydronaphthalene-1,2-diol_2	ME107024	1.07	0.96	0.97
Zingerone	ME107579	1.07	0.96	0.97
Sulcatone_1	ME107522	1.04	0.96	0.99
NICOTINAMIDE	ME107388	1.05	0.97	0.99
1,3,8-Naphthalenertriol	ME106699	1.04	0.97	0.99
2,2-Dimethyl-3-[4-(acetyloxy)phenyl]-4-ethyl-2H-1-benzopyran-7-ol acetate	ME106727	1.04	0.97	0.99
3-tert-Butyl-5-methylcatechol	ME106818	1.06	0.96	0.98
4-Aminobiphenyl	ME106830	1.06	0.96	0.98
N-Ethylglycocyamine	ME107379	1.05	0.96	0.98
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate	ME106687	1.05	0.97	0.98
CMN 131	ME107032	1.05	0.97	0.98
3-Isopropylcatechol_1	ME106799	1.05	0.97	0.98
(+/-)-5-[(tert-Butylamino)-2^-hydroxypropoxy]-1,2,3,4-tetrahydro-1-naphthol	ME106663	1.05	0.97	0.98
Thymine	ME107539	0.96	1.00	1.04
Aromatic aldehyde_2	ME106962	0.97	0.99	1.04
2-(Biaryl)carbapenems	ME106725	0.97	1.00	1.04
1-Pyrroline-2-carboxylate_2	ME106723	0.97	1.00	1.03
Indospicine_1	ME107220	0.97	1.00	1.03
L-SERINE	ME107291	0.99	0.98	1.03
Pentachloroethane	ME107445	0.98	0.99	1.03
Benzyl alcohol	ME106974	0.98	0.99	1.03
17beta-Methylestra-1,3,5(10)-trien-3-ol	ME106709	0.98	0.99	1.03
5-Hydroxyindoleacetate	ME106888	0.98	0.99	1.03
Traumatic acid	ME107552	0.98	0.98	1.04
Cucurbic acid_3	ME107048	0.98	0.98	1.04
1-Pyrroline-2-carboxylate_1	ME106722	0.98	0.98	1.04
4-Fluorocyclohexadiene-cis,cis-1,2-diol	ME106838	0.98	0.98	1.04
Bergaptol_1	ME106976	0.98	0.97	1.05
N-Acetylimidazole_2	ME107351	0.99	0.97	1.04
5-Acetamidopentanoate_1	ME106872	0.99	0.96	1.04
L-Phenylalanine	ME107283	1.00	0.96	1.04
trans-Cinnamate_1	ME107548	1.00	0.96	1.04
N-Acetylornithine_1	ME107361	1.02	0.95	1.03
Piperidine_2	ME107461	1.02	0.95	1.03
6-endo-Hydroxycineole_2	ME106907	1.01	0.96	1.03
Uridine_2	ME107568	1.01	0.96	1.03
N-Trimethyl-2-aminoethylphosphonate_1	ME107413	1.02	0.96	1.02
L-ISOLEUCINE	ME107272	1.02	0.96	1.02
9,12,13-TriHOME_1	ME106917	1.02	0.96	1.02
LEUCINE	ME107255	1.02	0.96	1.02
L-Kynurenine	ME107273	1.00	0.97	1.03
Sebacic acid_2	ME107499	1.00	0.97	1.03
Phenylpyruvate	ME107454	1.00	0.98	1.02
L-Tyrosine_1	ME107295	1.01	0.98	1.02
N-Nitrosoguvacoline_2	ME107407	1.01	0.97	1.02
4-Aminobutyraldehyde_1	ME106832	1.01	0.97	1.02
Hercynine	ME107189	1.01	0.97	1.02
Fagomine_2	ME107143	0.95	1.04	1.01
GUANIDINOACETATE	ME107185	0.96	1.04	1.00
epsilon-Caprolactam_1	ME107128	0.98	1.03	0.99
Piperidione_2	ME107463	0.97	1.03	1.01
CREATININE	ME107043	0.97	1.03	1.00
Succinate_1	ME107516	0.97	1.03	1.00
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose	ME106732	0.96	1.03	1.02
5,6-Dihydrothymine_1	ME106867	0.95	1.03	1.02
BETAINE	ME106983	0.95	1.03	1.02
Azelaic acid	ME106967	0.96	1.02	1.02
(10S)-Juvenile hormone III acid diol	ME106664	0.95	1.02	1.03
Warfarin	ME107572	0.96	1.02	1.03
3-Buten-1-amine	ME106792	0.96	1.01	1.02
5-AMINOPENTANOATE	ME106884	0.97	1.01	1.02
L-GLUTAMINE	ME107261	0.97	1.02	1.01
Boschnialactone_2	ME106990	0.97	1.02	1.01
11H-Benz[bc]aceanthrylene	ME106706	0.97	1.02	1.01
4-Oxoproline_1	ME106859	0.97	1.02	1.01
4-IMIDAZOLEACETIC ACID	ME106851	0.97	1.01	1.01
L-Albizziine_1	ME107242	0.97	1.01	1.01
5-exo-Hydroxy-1,2-campholide	ME106886	0.98	1.01	1.02
2-Phenylacetamide_1	ME106770	0.98	1.01	1.01
5-Acetamidopentanoate_3	ME106874	0.98	1.01	1.01
Penitrem D_1	ME107443	0.99	0.99	1.02
Cyclohexane-1,3-dione_1	ME107057	0.99	1.00	1.01
Benzoate	ME106971	1.00	0.99	1.01
L-Rhamnose	ME107290	0.99	0.99	1.01
Sulfamethazine	ME107525	1.01	0.99	1.00
Coumarin_1	ME107039	1.01	0.99	1.00
5,6-Dihydrothymine_2	ME106868	1.01	0.99	1.00
1-AMINOCYCLOPROPANE-1-CARBOXYLATE	ME106713	1.01	0.99	1.00
3,4-Methylenedioxymethamphetamine	ME106786	1.01	0.99	1.00
Trp-P-1	ME107557	1.01	0.99	1.01
3-Chloro-4-(dichloromethyl)-5-hydroxy-2(5H)-furanone	ME106794	1.01	0.99	1.01
Sulcatone_2	ME107523	1.01	0.99	1.01
Indole_1	ME107208	1.01	0.98	1.00
2-Naphthylamine_2	ME106765	1.01	0.98	1.01
Tyramine_1	ME107561	1.01	0.98	1.01
6-DEOXY-L-GALACTOSE	ME106905	0.99	1.00	1.00
Ethosuximide_4	ME107134	1.00	1.00	1.00
2-Hydroxycyclohexan-1-one_1	ME106758	1.00	1.00	1.00
Dodecanamide	ME107119	1.00	1.00	1.00
Hexylamine	ME107191	1.01	1.00	1.00
Tussilagine_1	ME107558	1.01	1.00	0.99
1-Octanal_1	ME106718	0.99	1.01	0.99
Chloromethiuron	ME107016	0.99	1.01	0.99
4-Vinylcyclohexene_1	ME106862	0.99	1.01	1.00
N(PAI)-METHYL-L-HISTIDINE	ME107335	0.99	1.01	1.00
6-endo-Hydroxycineole_1	ME106906	0.99	1.02	1.00
L-Methionine S-oxide_1	ME107278	0.98	1.02	1.00
Octylamine	ME107419	1.01	1.01	0.99
S-Allyl-L-cysteine_3	ME107494	1.00	1.01	0.99
Isoquinoline_1	ME107226	1.00	1.01	0.99
L-ARGININE	ME107245	1.00	1.01	0.99
L-HISTIDINE	ME107262	1.00	1.02	0.98
Xanthan	ME107574	1.00	1.02	0.98
1-Octanal_2	ME106719	1.00	1.02	0.99
Indole-3-acetaldehyde_1	ME107212	1.00	1.02	0.99
trans-Cinnamate_2	ME107549	0.99	1.02	0.99
Austrobailignan 1	ME106966	0.99	1.02	0.99
Methylimidazoleacetic acid_3	ME107324	0.99	1.02	0.99
Cyclohexanone	ME107060	1.00	1.03	0.97
Tremetone	ME107553	1.01	1.02	0.97
Dodemorph	ME107120	1.01	1.02	0.97
(-)-Menthyl acetate_2	ME106655	1.01	1.02	0.97
Levetiracetam_3	ME107258	1.02	1.01	0.98
2-Ethylhexyl phthalate_1	ME106749	1.01	1.01	0.98
Precocene II	ME107469	1.01	1.01	0.98
Cucurbic acid_2	ME107047	1.02	1.01	0.97
Suberic acid_1	ME107512	1.01	1.01	0.97
2-Aceto-2-hydroxybutanoate	ME106739	0.81	1.23	0.96
Otonecine_1	ME107428	0.81	1.25	0.94
SARCOSINE	ME107497	0.86	1.24	0.90
5-Valerolactone_3	ME106904	0.85	1.23	0.92
CREATINE	ME107041	0.86	1.23	0.91
4-HYDROXY-L-PHENYLGLYCINE	ME106849	0.83	1.28	0.89
4-Hydroxyphenylacetate	ME106850	0.86	1.27	0.87
Paramethadione_4	ME107437	0.85	1.26	0.88
3-(Imidazol-4-yl)-2-oxopropyl phosphate_2	ME106778	0.95	1.18	0.87
Nonane-4,6-dione	ME107411	0.95	1.16	0.89
1,3-Dichloro-2-propanol	ME106700	0.95	1.16	0.89
CCCP	ME107014	0.95	1.16	0.89
Saccharin sodium anhydrous_2	ME107491	0.98	1.12	0.89
4-Fluoro-L-threonine	ME106839	0.98	1.16	0.88
Pyridoxal	ME107480	0.98	1.14	0.88
Dimethylcarbamoyl chloride	ME107109	0.89	1.21	0.90
TRANS-CINNAMATE	ME107550	0.90	1.21	0.89
dUMP	ME107123	0.92	1.21	0.87
Sulfacetamide sodium anhydrous	ME107524	0.93	1.18	0.89
Saccharin sodium anhydrous_1	ME107490	0.91	1.20	0.89
N-FORMYLGLYCINE	ME107384	0.92	1.20	0.88
3-Oxalomalate	ME106811	0.92	1.19	0.89
Glycidyl oleate	ME107172	0.92	1.19	0.88
N1-Acetylspermidine	ME107338	0.92	1.17	0.91
3-Oxohexobarbital	ME106816	0.90	1.17	0.93
Urocanate_2	ME107570	0.90	1.18	0.92
N6-Methyl-L-lysine	ME107345	0.89	1.19	0.92
Thiomorpholine 3-carboxylate_1	ME107536	0.88	1.19	0.93
Paramethadione_3	ME107436	0.97	1.22	0.81
Calcium salicylate	ME107000	0.92	1.25	0.83
Lycodine	ME107299	0.88	1.25	0.85
Etodolac	ME107139	0.97	1.09	0.94
Methyleugenol_4	ME107320	0.97	1.09	0.94
Oxidized Latia luciferin	ME107431	0.95	1.10	0.95
4-Guanidinobutanoate	ME106841	0.95	1.09	0.95
Benzofuran_2	ME106973	0.96	1.09	0.95
L-Cysteate	ME107253	0.98	1.11	0.91
N-Methyl-N^-nitro-N-nitrosoguanidine	ME107403	0.96	1.11	0.93
HISTAMINE	ME107194	0.97	1.10	0.93
Euxanthone	ME107141	0.97	1.11	0.92
L-Aspartate 4-semialdehyde_2	ME107250	0.97	1.10	0.92
Diethylene glycol_2	ME107096	0.98	1.05	0.97
Pantothenate_2	ME107433	0.99	1.05	0.96
4-Vinylcyclohexene_3	ME106864	0.99	1.06	0.95
Sebacic acid_1	ME107498	0.99	1.06	0.96
3-Fluoro-cis,cis-muconate	ME106797	0.98	1.06	0.96
GLYCINE	ME107173	0.98	1.06	0.96
TAURINE	ME107529	0.95	1.07	0.98
Hypoxanthine	ME107204	0.95	1.07	0.98
N-Acetyl-L-leucine_4	ME107357	0.95	1.07	0.98
2-Hydroxycyclohexan-1-one_3	ME106760	0.95	1.09	0.97
3-Methyl-2-oxobutanoic acid_1	ME106802	0.94	1.08	0.98
MANNOSE	ME107307	0.94	1.08	0.97
Suberic acid_3	ME107514	0.96	1.05	0.99
2-Hydroxymethylclavam_1	ME106761	0.95	1.05	0.99
Methyleugenol_2	ME107318	0.95	1.06	0.99
4-Hydroxy-2-quinolinecarboxylic acid	ME106846	0.97	1.05	0.99
Inosine	ME107222	0.97	1.05	0.98
Nona-2,6-dienal	ME107410	0.97	1.05	0.98
5,6-DIHYDROURACIL	ME106870	0.96	1.06	0.98
D-(-)-ARABINOSE	ME107067	0.96	1.06	0.98
1,2,6-Hexanetriol	ME106697	0.96	1.07	0.97
1-Hydroxy-2-methyl-2-butenyl 4-diphosphate	ME106716	0.97	1.06	0.97
Pantothenate_1	ME107432	0.97	1.06	0.97
3-Hydroxyhexobarbital	ME106798	0.93	1.04	1.00
N-Trimethyl-2-aminoethylphosphonate_2	ME107414	0.94	1.05	1.02
Furfural diethyl acetal_1	ME107159	0.93	1.06	1.01
3-UREIDOPROPIONATE	ME106819	0.93	1.06	1.01
Ethosuximide_3	ME107133	0.93	1.06	1.01
Lichenin	ME107266	0.93	1.09	0.98
2-Naphthylamine_1	ME106764	0.93	1.08	0.99
Glycerone_2	ME107171	0.92	1.09	0.99
4-Vinylcyclohexene_2	ME106863	0.91	1.08	1.01
Glutarate_1	ME107164	0.91	1.09	1.00
L-THREONINE	ME107292	0.91	1.10	1.00
Diethanolamine	ME107090	0.93	1.11	0.96
Phendimetrazine_2	ME107449	0.93	1.11	0.97
Furfuryl alcohol	ME107161	0.92	1.10	0.98
Cycloheptanecarboxylic acid_1	ME107054	0.91	1.11	0.98
URATE	ME107565	0.92	1.11	0.98
Catechol_1	ME107012	0.88	1.14	0.98
2-Oxobutanoate_1	ME106766	0.89	1.12	0.99
5-Hydroxyisourate_1	ME106890	0.91	1.12	0.97
Xanthine	ME107575	0.91	1.12	0.97
2,3-Dimethylmaleate_1	ME106730	0.90	1.13	0.98
Protoanemonin	ME107475	0.90	1.12	0.98
p-Benzoquinone_1	ME107438	0.90	1.12	0.98
Cycloheptanecarboxylic acid_3	ME107056	0.90	1.12	0.98
Morphine	ME107328	0.90	1.12	0.98
2,3-Dihydroxybenzoate	ME106729	0.89	1.13	0.97
4-Hydroxy-2-butynal_1	ME106844	0.90	1.13	0.97
Isobutyronitrile_1	ME107223	0.90	1.13	0.97
L-Alanine	ME107241	0.93	1.14	0.93
alpha-Sinensal_2	ME106942	0.94	1.12	0.94
Monodehydroascorbate	ME107326	0.94	1.13	0.93
D-(+)-GLUCOSAMINE	ME107068	0.90	1.15	0.95
11beta,16alpha,17alpha,21-Tetrahydroxy-9alpha-fluoropregn-4-ene-3,20-dione 16,17-acetonide	ME106705	0.92	1.15	0.93
BETA-ALANINE	ME106978	0.91	1.15	0.94
Dihydroclavaminic acid_1	ME107100	0.86	1.13	1.00
5-AMINOLEVULINIC ACID	ME106883	0.85	1.16	0.99
5-Valerolactone_1	ME106902	0.85	1.15	1.01
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_3	ME106690	0.88	1.15	0.96
1,2,3-Trihydroxybenzene	ME106696	0.87	1.16	0.97
L-PROLINE	ME107289	0.88	1.17	0.96
Succinic anhydride	ME107518	0.84	1.20	0.96
Diacetyl_2	ME107088	0.85	1.19	0.96
Diacetyl_3	ME107089	0.86	1.18	0.96
2-Furoate_1	ME106752	0.90	1.07	1.03
5-Aminolevulinate_4	ME106882	0.91	1.06	1.03
Methyleugenol_3	ME107319	0.91	1.06	1.03
3-Mercaptolactate	ME106801	0.90	1.05	1.05
1-(1-Oxopropyl)-1H-imidazole_2	ME106695	0.89	1.08	1.04
beta-Carboline_2	ME106980	0.89	1.07	1.04
4-Imidazolone-5-propanoate	ME106852	0.89	1.06	1.05
L-2-Aminoadipate_2	ME107240	0.89	1.07	1.05
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINE	ME107378	0.90	1.03	1.07
Dehydroalanine_1	ME107074	0.92	1.02	1.06
Phenylhydrazine	ME107453	0.92	1.03	1.05
5-Methylthio-D-ribose	ME106897	0.92	1.05	1.03
4-AMINOBUTANOATE	ME106831	0.92	1.04	1.04
Pulcherriminic acid	ME107477	0.92	1.04	1.04
Methyl 2-diazoacetamidohexonate_2	ME107313	0.94	1.02	1.04
Batrachotoxin	ME106969	0.93	1.03	1.04
Dihydro-4,4-dimethyl-2,3-furandione	ME107099	0.93	1.03	1.03
L-CARNITINE	ME107252	0.93	1.00	1.07
(S)-ATPA_1	ME106692	0.94	0.98	1.08
(-)-Limonene_2	ME106652	0.95	0.98	1.06
4-Methyl-2-oxopentanoate	ME106854	0.95	0.99	1.06
Indolelactate_1	ME107218	0.94	0.99	1.06
Cumene	ME107051	0.89	1.00	1.11
Homostachydrine_1	ME107196	0.89	1.01	1.11
5-OXO-L-PROLINE	ME106900	0.89	1.02	1.09
N-ACETYL-D-GALACTOSAMINE	ME107347	0.88	1.02	1.10
cis-1,2-Dihydronaphthalene-1,2-diol_3	ME107025	0.92	0.98	1.10
Abscisate_2	ME106923	0.90	1.01	1.09
Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate_1	ME107091	0.91	1.00	1.09
1-Aminocyclopropane-1-carboxylate_2	ME106714	0.91	1.00	1.09
3-Sulfocatechol	ME106817	0.91	1.00	1.09
Linamarin_2	ME107268	0.80	1.11	1.09
4-Methylene-L-glutamine_2	ME106857	0.80	1.08	1.12
Indole-3-acetaldehyde_3	ME107214	0.82	1.08	1.10
Indolelactate_2	ME107219	0.79	1.07	1.14
AMPA_1	ME106946	0.80	1.06	1.14
Coenzyme B	ME107033	0.79	1.06	1.15
Cyclohexylamine_2	ME107062	0.83	1.05	1.12
Cyclohexylamine_1	ME107061	0.82	1.06	1.12
Propyl cinnamate	ME107474	0.83	1.06	1.12
Zeatin	ME107578	0.82	1.05	1.13
2-Aminophenol_1	ME106745	0.83	1.04	1.13
Pyridoxamine_2	ME107482	0.83	1.04	1.13
L-PIPECOLIC ACID	ME107288	0.85	1.12	1.03
Myxalamid A	ME107330	0.85	1.11	1.04
Glutarate_3	ME107166	0.82	1.14	1.04
Uracil	ME107563	0.83	1.12	1.05
2-Hydroxy-2,4-pentadienoate_1	ME106755	0.82	1.11	1.07
XYLITOL	ME107576	0.83	1.11	1.06
N-METHYL-D-ASPARTIC ACID	ME107402	0.84	1.07	1.08
GUANINE	ME107186	0.84	1.08	1.08
Isoquinoline_7	ME107232	0.84	1.08	1.08
Uridine_1	ME107567	0.85	1.08	1.07
(+)-Norephedrine	ME106662	0.85	1.08	1.07
Tolmetin sodium	ME107541	0.85	1.08	1.07
Aristolochic acid	ME106960	0.85	1.09	1.06
Boschnialactone_1	ME106989	0.86	1.08	1.06
N1-Methyl-2-pyridone-5-carboxamide	ME107339	0.86	1.05	1.09
Pirimicarb	ME107467	0.86	1.05	1.09
DEOXYCARNITINE	ME107080	0.86	1.03	1.10
N6-Acetyl-N6-hydroxy-L-lysine	ME107344	0.86	1.03	1.11
Levetiracetam_4	ME107259	1.23	0.54	1.23
3-(Methylthio)propanoate	ME106779	1.29	0.46	1.25
L-Tyrosine methyl ester	ME107298	1.28	0.48	1.24
alpha-EMTBL_2	ME106938	1.32	0.50	1.18
N5-Phenyl-L-glutamine_2	ME107342	1.34	0.45	1.21
N,N-Dimethylhistidine	ME107337	1.37	0.47	1.17
4-Amino-1-piperidinecarboxylic acid	ME106828	1.27	0.58	1.15
6-Methoxymellein	ME106910	1.27	0.56	1.17
Indole_2	ME107209	1.26	0.56	1.18
4-Dodecylphenol_1	ME106836	1.27	0.61	1.12
Linoleate_1	ME107269	1.26	0.62	1.12
4-Acetamidobutanoate_1	ME106822	1.29	0.61	1.11
N,N^-Diacetylhydrazine	ME107336	1.28	0.60	1.12
2-Phenylacetamide_2	ME106771	1.31	0.58	1.11
3-Methyldioxyindole	ME106805	1.32	0.59	1.09
Acetylcysteine	ME106927	1.32	0.63	1.05
(6Z,9Z,12Z)-Octadecatrienoic acid_1	ME106673	1.29	0.65	1.06
Fexofenadine_1	ME107150	1.28	0.65	1.07
D-Lysopine_1	ME107114	1.21	0.66	1.12
1-Oleoylglycerophosphocholine	ME106721	1.24	0.65	1.11
Calystegin B2_1	ME107002	1.26	0.64	1.10
4-Hydroxybutanoic acid_1	ME106847	1.37	0.61	1.01
Dehydroalanine_3	ME107076	1.44	0.52	1.04
Aromatic aldehyde_1	ME106961	1.40	0.55	1.05
3,4-Dihydroxy-L-phenylalanine_2	ME106782	1.37	0.57	1.06
Maculosin	ME107300	1.38	0.56	1.06
(+)-Camphor_1	ME106659	1.36	0.54	1.10
Linoleate_3	ME107271	1.39	0.50	1.11
L-Aspartate 4-semialdehyde_3	ME107251	1.32	0.93	0.75
N-Ethylmaleimide	ME107380	1.29	0.98	0.73
GW 1929	ME107187	1.35	0.91	0.91
D-Ribose	ME107121	1.27	0.85	0.88
Sphingosine_1	ME107506	1.27	0.84	0.89
Fuberidazole	ME107156	1.26	0.87	0.87
Buprenorphine	ME106996	1.28	0.87	0.85
Phenylacetylglutamine	ME107452	1.26	0.88	0.85
Nuatigenin	ME107415	1.21	0.88	0.91
3-AMINO-4-HYDROXYBENZOIC ACID	ME106789	1.23	0.88	0.89
Pentanamide	ME107446	1.24	0.87	0.89
N-Acetoxy-4-aminobiphenyl	ME107346	1.23	0.93	0.87
AMPA_2	ME106947	1.22	0.90	0.88
5-O-Methyl-myo-inositol	ME106898	1.20	0.92	0.89
Sphingosine 1-phosphate	ME107508	1.21	0.91	0.89
1,4^-Bipiperidine-1^-carboxylic acid_1	ME106701	1.28	0.92	0.80
alpha-Erythroidine	ME106939	1.24	0.93	0.83
D-Glucose_2	ME107086	1.23	0.98	0.80
Diisopropyl phosphate	ME107102	1.20	0.98	0.82
Acridine	ME106928	1.22	0.96	0.82
Diltiazem	ME107106	1.21	0.95	0.83
Diacetyl_1	ME107087	1.31	0.68	1.01
3-Oxododecanoic acid_2	ME106815	1.27	0.70	1.03
Mandelonitrile_1	ME107302	1.27	0.70	1.03
(9Z)-Hexadecenoic acid_3	ME106678	1.28	0.73	1.00
N-Methyl-2-pyrrolidinone_5	ME107401	1.29	0.71	1.00
D-GLUCONO-1,5-LACTONE	ME107083	1.29	0.76	0.95
Taxa-4(20),11(12)-dien-5alpha-yl acetate_1	ME107531	1.32	0.75	0.94
Terpendole E	ME107533	1.32	0.80	0.89
Abietate	ME106921	1.28	0.81	0.91
D-Xylonate	ME107124	1.24	0.83	0.92
N-Isopropylammelide_2	ME107393	1.23	0.77	1.00
N-Amidino-L-glutamate	ME107372	1.22	0.78	1.00
Abscisate_1	ME106922	1.22	0.77	1.01
(-)-Limonene_3	ME106653	1.22	0.77	1.01
L-Histidine	ME107263	1.20	0.81	1.00
1-(1-Oxopropyl)-1H-imidazole_1	ME106694	1.18	0.82	0.99
5-Acetamidopentanoate_6	ME106877	1.19	0.82	0.99
Levetiracetam_1	ME107256	1.17	0.85	0.98
2-Oxooctadecanoic acid_1	ME106768	1.18	0.84	0.99
Phosphodimethylethanolamine	ME107456	1.18	0.84	0.98
(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid	ME106668	1.17	0.83	1.00
Peganine	ME107442	1.16	0.84	1.01
Indole-5,6-quinone	ME107217	1.19	0.85	0.96
Arachidonate	ME106958	1.22	0.82	0.96
Nalidixic acid_2	ME107368	1.22	0.83	0.95
4,8-Dihydroxyquinoline_1	ME106820	1.11	0.89	1.00
L-Tyrosine_3	ME107297	1.12	0.89	0.99
Linoleate_2	ME107270	1.13	0.88	0.99
L-Pipecolate_3	ME107286	1.13	0.88	0.99
Cycasin_2	ME107053	1.15	0.85	1.01
Sphingosine_2	ME107507	1.14	0.85	1.01
(E)-4-(Trimethylammonio)but-2-enoate_2	ME106683	1.14	0.86	1.00
(+)-Camphor_2	ME106660	1.14	0.87	0.99
(S)-2,3,4,5-Tetrahydropyridine-2-carboxylate_4	ME106691	1.14	0.87	0.99
Levetiracetam_2	ME107257	1.12	0.86	1.02
2-Oxooctadecanoic acid_2	ME106769	1.11	0.86	1.03
(E)-4-(Trimethylammonio)but-2-enoate_1	ME106682	1.11	0.86	1.03
3,3^-Dimethylbisphenol A	ME106780	1.11	0.87	1.02
Ethyl tiglate	ME107137	1.11	0.87	1.02
N-Acetyl-L-citrulline	ME107353	1.07	0.87	1.05
1-Aminocyclopropane-1-carboxylate_1	ME106712	1.09	0.87	1.04
Adifoline	ME106931	1.09	0.87	1.05
4-ACETAMIDOBUTANOATE	ME106826	1.13	0.83	1.04
(6Z,9Z,12Z)-Octadecatrienoic acid_2	ME106674	1.14	0.83	1.03
Histamine	ME107193	1.16	0.80	1.05
4-Aminobutyraldehyde_2	ME106833	1.15	0.81	1.05
4-Guanidinobutanal	ME106840	1.15	0.80	1.05
Castanospermine_1	ME107009	1.18	0.80	1.02
N-Nitrosopiperidine_1	ME107408	1.17	0.80	1.03
2-(Methylthio)ethanesulfonate	ME106726	1.10	0.78	1.12
N-Methyl-2-pyrrolidinone_3	ME107399	1.11	0.78	1.10
O-Propanoylcarnitine_4	ME107425	1.10	0.82	1.08
Bis(2-chloroethyl)ether_1	ME106986	1.10	0.83	1.07
2-Hydroxymethylclavam_2	ME106762	1.11	0.83	1.06
4-Amino-2-hydroxylamino-6-nitrotoluene	ME106829	1.10	0.83	1.06
8-Amino-7-oxononanoate_1	ME106913	1.13	0.81	1.06
1^-Acetoxyeugenol acetate	ME106711	1.12	0.81	1.07
Isobutyronitrile_2	ME107224	1.12	0.81	1.07
N-Cyclohexylformamide_1	ME107373	1.12	0.79	1.09
5-Hydroxy-L-tryptophan_2	ME106893	1.12	0.80	1.08
Lophophorine	ME107282	1.12	0.80	1.08
Calystegin B2_3	ME107004	1.16	0.68	1.17
N-Acetylornithine_3	ME107363	1.17	0.68	1.16
Janthitrem C_2	ME107236	1.18	0.67	1.15
1,2-Bis(chloromethoxy)ethane	ME106698	1.17	0.67	1.16
L-Histidinol_2	ME107265	1.17	0.67	1.15
alpha-EMTBL_1	ME106937	1.19	0.59	1.22
5-Guanidino-3-methyl-2-oxopentanoate	ME106887	1.22	0.60	1.18
Cucurbitine_2	ME107050	1.19	0.61	1.20
N-(6-Aminohexanoyl)-6-aminohexanoate	ME107332	1.19	0.63	1.19
Succimer	ME107515	1.19	0.63	1.18
3,4-Dihydroxy-L-phenylalanine_1	ME106781	1.09	0.74	1.16
N-Hydroxy-L-valine	ME107387	1.08	0.77	1.15
Fagomine_4	ME107145	1.13	0.71	1.17
Fagomine_1	ME107142	1.11	0.71	1.17
Mannitol_1	ME107304	1.11	0.72	1.18
N-Acetyl-L-leucine_2	ME107355	1.12	0.73	1.15
4-Methylene-L-glutamine_3	ME106858	1.13	0.74	1.13
Dihydroclavaminic acid_2	ME107101	1.14	0.74	1.12
Cucurbitine_1	ME107049	1.17	0.74	1.08
Deoxyvasicinone	ME107082	1.17	0.75	1.08
5-Acetamidopentanoate_4	ME106875	1.17	0.77	1.06
4-Acetamidobutanoate_4	ME106825	1.16	0.78	1.07
Etidronic acid	ME107138	1.16	0.77	1.08
Glycyl-leucine_1	ME107178	1.22	0.73	1.06
N-Acetylimidazole_1	ME107350	1.23	0.71	1.06
N-Formylmethionine	ME107385	1.22	0.70	1.07
D-Lysopine_2	ME107115	1.20	0.70	1.10
Tolylacetonitrile_2	ME107546	1.20	0.70	1.10
(6S,9R)-Vomifoliol	ME106672	1.17	0.73	1.11
Indole_4	ME107211	1.17	0.71	1.12
3-Methyleneoxindole_2	ME106807	1.18	0.72	1.10
N-Acetylornithine_2	ME107362	1.18	0.71	1.11

Factors:

F1	Treatment :Baseline plasma
F2	Treatment :Plasma after drinking apple juice
F3	Treatment :Plasma after drinking cranberry juice

Data matrix