Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for LC-MS Based Approaches to Investigate Metabolomic Differences in the Urine of Young Women after Drinking Cranberry Juice or Apple Juice (Study ST000291)

ESI Negative mode (Analysis AN000465)

Metabolite	Structure	F1	F2	F3
gamma-L-Glutamyl-L-cysteine	ME106291	0.01	0.01	5.57
1-(beta-D-Ribofuranosyl)-1,4-dihydronicotinamide	ME105921	4.91	0.02	0.62
Parsonsine	ME106466	3.59	0.01	0.01
Bruceoside A	ME106153	0.01	3.23	0.00
D-Urobilinogen	ME106249	0.04	3.26	0.02
Chlorogenate	ME106166	0.19	2.70	0.11
Anhydrochlortetracycline	ME106102	0.10	2.95	0.27
Acyclovir	ME106091	0.00	3.00	NA
Zinnimidine	ME106645	0.01	2.97	0.01
4-Nitrophenyl-3-ketovalidamine_2	ME106029	0.01	2.89	0.01
2-Ethylhexyl phthalate_2	ME105965	0.08	2.86	0.05
Oxazepam	ME106457	0.09	2.87	0.04
AMPA_2	ME106099	0.51	1.97	0.52
Potassium cyanate_3	ME106492	0.45	1.98	0.57
3-Oxalomalate	ME106002	0.47	2.11	0.42
Genipin_2	ME106295	0.47	2.14	0.39
4,4^-Diaminostilbene dihydrochloride_2	ME106018	0.45	2.04	0.51
Boc-Asn_1	ME106148	0.47	2.07	0.46
Gentiopicrin_4	ME106300	0.46	2.07	0.47
8-Hydroxyalanylclavam	ME106076	0.58	2.11	0.30
Pantothenol	ME106465	0.55	2.00	0.25
Asparenomycin A_2	ME106116	0.61	1.85	0.31
Sesamex_2	ME106557	0.70	1.95	0.35
Hymenoxon	ME106340	0.39	2.30	0.31
Rosmarinine	ME106534	0.41	2.32	0.27
Perseitol_2	ME106473	0.35	2.27	0.38
1-Caffeoyl-4-deoxyquinic acid_2	ME105932	0.29	2.35	0.36
3,7-Di-O-methylquercetin	ME105992	0.32	2.36	0.33
Artecanin	ME106110	0.32	2.34	0.34
DMPP_2	ME106237	0.21	2.44	0.35
Dihydrozeatin-O-glucoside	ME106229	0.31	2.41	0.27
Tramadol	ME106608	0.31	2.43	0.25
2-Dehydro-D-xylonate	ME105962	0.49	2.44	0.07
Debromoaplysiatoxin	ME106209	0.49	2.33	0.18
Loxapine	ME106380	0.61	2.24	0.15
cis-2-Carboxycyclohexyl-acetic acid_3	ME106178	0.10	0.05	2.85
3-Hydroxy-L-glutamate_1	ME105999	0.01	0.02	2.97
Acutumidine	ME106090	0.02	0.00	2.97
Sulmazole_1	ME106576	0.06	0.05	2.89
Thiamin diphosphate	ME106598	0.03	0.03	2.87
3-Hydroxy-L-glutamate_2	ME106000	0.02	0.07	2.91
Quinoclamin	ME106515	0.03	0.03	2.93
(R)-2-Hydroxybutane-1,2,4-tricarboxylate_2	ME105911	0.04	0.04	2.92
3,4-Dihydroxymandelate_2	ME105986	0.25	0.04	2.70
Scopoletin	ME106545	0.10	0.15	2.75
5-Methyl-3-isoxazolyl sulfate_3	ME106046	0.10	0.13	2.77
Bowdichione	ME106152	0.08	0.14	2.78
Furamizole	ME106282	0.11	0.23	2.65
Acetophenazine	ME106086	0.16	0.19	2.65
(R)-(Homo)2-citrate_3	ME105909	0.13	0.18	2.70
Amoxicillin	ME106097	0.01	0.00	3.54
6-(alpha-D-Glucosaminyl)-1D-myo-inositol	ME106051	0.05	0.02	3.14
1-(5-Phosphoribosyl)imidazole-4-acetate	ME105920	0.01	0.01	3.31
9-Riburonosyladenine	ME106082	0.03	0.02	3.35
6-Acetyl-D-glucose	ME106053	1.16	0.21	1.63
Schizonepetoside E_1	ME106541	0.95	0.21	1.84
1-O-Vanilloyl-beta-D-glucose_3	ME105938	0.81	0.28	1.91
Sinapate_3	ME106561	0.80	0.25	1.95
Sulochrin	ME106578	0.77	0.34	1.82
3-Methyldioxyindole	ME106001	0.68	0.38	1.93
2,4-Dinitro-1-(3-nitrophenoxy)benzene	ME105951	0.72	0.45	1.89
2-AminoAMP	ME105960	0.73	0.40	1.87
Eseramine_1	ME106258	0.75	0.42	1.83
Anthocyanin 3^-O-beta-D-glucoside	ME106107	0.56	0.62	1.81
2-(6^-Methylthio)hexylmalic acid	ME105942	0.64	0.52	1.84
Schizonepetoside E_4	ME106544	0.65	0.54	1.82
Grandidentatin_1	ME106320	0.55	0.45	1.99
(3-Arylcarbonyl)-alanine	ME105903	0.53	0.51	1.96
3-Sulfocatechol	ME106005	0.55	0.50	1.96
Azinphos-ethyl_2	ME106124	0.59	0.38	2.03
Phenylgalactoside_2	ME106476	0.65	0.34	2.01
Sulfoquinovose_1	ME106574	0.85	0.49	1.66
Theogallin	ME106597	0.84	0.50	1.66
Niflumic acid_1	ME106445	0.84	0.45	1.71
Thiamin monophosphate	ME106599	0.80	0.49	1.71
Nicotinurate_1	ME106443	0.74	0.56	1.70
Abscisate	ME106083	0.75	0.51	1.75
Leucomethylene blue	ME106369	0.74	0.52	1.74
Cholic acid	ME106173	0.79	0.55	1.66
trans-Cinnamoyl beta-D-glucoside	ME106609	0.76	0.61	1.63
Adiantifoline	ME106092	0.56	0.76	1.63
Sinapate_2	ME106560	0.53	0.81	1.66
Quercetin 3-O-glucoside	ME106509	0.69	0.69	1.57
Sulfoquinovose_2	ME106575	0.72	0.68	1.60
7-Deoxyloganate_2	ME106060	0.62	0.67	1.72
Berberine chloride_1	ME106136	0.63	0.70	1.67
Heterocladol	ME106335	0.42	0.66	1.92
Berberine chloride_3	ME106138	0.46	0.74	1.80
Neostigmine bromide_2	ME106438	0.39	0.77	1.85
Syringin	ME106579	0.20	0.75	2.09
2-Pyridyl hydroxymethane sulfonic acid_4	ME105975	0.42	0.49	2.09
6-[2,3-Dihydroxy-1-(hydroxymethyl)propyl]-1,2-dihydro-7-hydroxy-9-methoxy-cyclopenta[c][1]benzopyran-3,4-dione	ME106052	0.30	0.51	2.20
Diethyl 2-methyl-3-oxosuccinate_1	ME106224	0.49	0.17	2.34
Decarbamoylgonyautoxin 1_2	ME106211	0.44	0.27	2.29
Potassium cyanate_1	ME106490	0.50	0.29	2.21
Rehmaionoside A_1	ME106521	0.50	0.31	2.18
Digalacturonate	ME106227	0.78	0.08	2.21
Mangiferin	ME106387	0.75	0.19	2.13
D-Glucono-1,5-lactone	ME106219	0.63	0.20	2.17
Tentoxin_2	ME106586	0.67	0.26	2.08
cis-4-Carboxymethylenebut-2-en-4-olide	ME106180	0.46	0.05	2.49
Sucralose	ME106571	0.11	0.11	2.36
L-Adrenaline	ME106360	0.25	0.35	2.40
Sterigmatocystin	ME106569	0.28	0.37	2.30
D-Prephenyllactate	ME106245	0.34	0.35	2.31
N-Benzyloxycarbonylglycine_2	ME106435	0.37	0.33	2.29
2-Chloro-1,4-naphthoquinone	ME105961	0.38	0.18	2.44
Gallate	ME106287	0.32	0.24	2.44
Versicolorin B	ME106638	0.23	0.22	2.55
Butenachlor	ME106154	0.26	0.23	2.51
Prontosil	ME106495	0.27	0.22	2.51
Azinphos-ethyl_1	ME106123	0.22	0.32	2.46
Valacyclovir	ME106635	0.24	0.27	2.49
5-Methyl-3-isoxazolyl sulfate_1	ME106044	0.04	0.37	2.10
5-Methyl-3-isoxazolyl sulfate_2	ME106045	0.02	0.03	1.97
Anthocyanin	ME106106	0.00	0.00	1.80
14-Dihydroxycornestin	ME105928	0.91	1.86	0.23
4-Pyridoxate_2	ME106033	0.85	1.63	0.52
Tabtoxin	ME106580	0.79	1.65	0.56
4-Nitrophenyl-3-ketovalidamine_1	ME106028	0.76	1.72	0.52
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_1	ME105948	0.78	1.70	0.52
Sinapyl alcohol	ME106563	0.78	1.69	0.53
HC Blue No.1	ME106329	0.91	1.73	0.36
Scytalone_2	ME106547	0.86	1.70	0.44
Propachlor_1	ME106496	0.94	1.55	0.48
3-Sulfomuconate	ME106006	1.03	1.62	0.35
4,4^-Dichlorobenzophenone_2	ME106020	0.92	1.65	0.43
C20913	ME106157	0.97	1.64	0.40
Methyldopa anhydrous_2	ME106399	0.99	1.60	0.41
Linezolid_2	ME106372	0.92	1.25	0.83
3,4-Dihydroxy-L-phenylalanine	ME105984	0.97	1.25	0.78
4,4^-Biphenyldithiol_1	ME106013	0.96	1.30	0.75
(S)-ATPA_2	ME105919	0.94	1.29	0.77
Rhododendrin_2	ME106526	1.09	1.19	0.72
Zalcitabine	ME106644	1.12	1.16	0.72
Aniracetam	ME106103	1.07	1.10	0.83
Plumieride	ME106485	1.04	1.13	0.83
1-O-Vanilloyl-beta-D-glucose_4	ME105939	0.98	1.19	0.83
Triethylene glycol diglycidyl ether_1	ME106619	1.02	1.19	0.79
D-Xylonate_2	ME106251	1.04	1.17	0.80
Nicotianamine	ME106442	1.06	1.16	0.79
Acronycidine	ME106089	0.91	1.35	0.73
(R)-2-Hydroxybutane-1,2,4-tricarboxylate_3	ME105912	0.97	1.38	0.66
12-trans-Hydroxy juvenile hormone III	ME105927	0.93	1.39	0.68
Reduced riboflavin_2	ME106519	0.95	1.36	0.70
Maculosin	ME106385	0.85	1.52	0.62
Funebrine	ME106281	0.94	1.43	0.64
Ungeremine	ME106631	0.91	1.47	0.62
Fenoldopam_1	ME106263	1.13	1.22	0.64
3-beta-D-Galactosyl-sn-glycerol_2	ME105995	1.05	1.27	0.68
1,1-Diethyl-2-hydroxy-2-nitrosohydrazine_2	ME105923	1.07	1.28	0.64
Vermelone	ME106636	1.06	1.29	0.63
N-AMIDINO-L-ASPARTATE	ME106432	1.16	1.33	0.52
7,8-Dihydroxycoumarin	ME106058	1.06	1.37	0.57
Salidroside	ME106539	1.06	1.39	0.55
Forchlorfenuron_1	ME106272	0.59	1.81	0.76
(2S,3S)-2-Hydroxytridecane-1,2,3-tricarboxylate	ME105902	0.76	1.35	0.90
E3040	ME106252	0.77	1.36	0.88
L-2,3-Dihydrodipicolinate	ME106359	0.81	1.39	0.81
N(alpha)-Benzyloxycarbonyl-L-leucine	ME106412	0.84	1.35	0.81
8-Amino-7-oxononanoate_3	ME106072	0.62	1.62	0.77
Hesperetin	ME106333	0.66	1.59	0.74
Biotin sulfoxide_2	ME106144	0.66	1.57	0.78
Tentoxin_4	ME106588	0.67	1.54	0.79
Carbamorph	ME106159	0.61	1.52	0.87
Deoxyloganin_2	ME106217	0.66	1.49	0.85
Schizonepetoside E_2	ME106542	0.68	1.51	0.82
Triflumuron	ME106621	1.79	1.05	0.15
Dalpanin	ME106201	1.87	0.92	0.20
Gibberellin A44 diacid	ME106301	1.86	0.96	0.19
Biotin sulfone	ME106142	1.39	1.03	0.58
Spectinomycin dihydrochloride	ME106566	1.41	1.01	0.57
Tributyltin chloride_3	ME106616	1.37	1.06	0.56
Lecanoric acid	ME106365	1.41	1.05	0.54
S-Carboxymethyl-L-cysteine	ME106540	1.41	1.06	0.52
2,2-Bis(4^-chlorophenyl)ethanol	ME105944	1.31	1.08	0.59
(5Z,13E)-11alpha-Hydroxy-9,15-dioxoprost-13-enoate	ME105905	1.27	1.10	0.62
Pendimethalin	ME106468	1.21	1.16	0.63
Biotin sulfoxide_1	ME106143	1.25	1.19	0.55
HC Blue No. 2_2	ME106328	1.22	1.20	0.58
Coniferin_3	ME106187	1.57	1.23	0.21
DMPP_1	ME106236	1.27	1.29	0.44
Glaucarubin_2	ME106303	1.34	1.28	0.38
Tarennoside	ME106583	1.34	1.27	0.39
4-Nitrophenol-alpha-D-galactopyranoside	ME106027	1.53	1.10	0.37
Forchlorfenuron_2	ME106273	1.44	1.15	0.41
2-S-Glutathionyl acetate	ME105976	1.42	1.23	0.38
3,4-Dihydroxymandelate_1	ME105985	1.44	1.20	0.35
gamma-Glutamyl-gamma-aminobutyraldehyde	ME106288	1.34	0.71	0.95
Elephantopin	ME106254	1.37	0.67	0.96
4,4-Bis[4-(acetyloxy)phenyl]3-hexanone_2	ME106016	1.39	0.68	0.92
Tuberonic acid glucoside_1	ME106626	1.39	0.69	0.92
5-Hydroxyferulic acid methyl ester_1	ME106039	1.38	0.69	0.93
Glycodeoxycholate	ME106317	1.38	0.69	0.92
7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate_2	ME106069	1.39	0.76	0.84
Moricizine	ME106406	1.44	0.72	0.84
Aucubin	ME106120	1.41	0.74	0.85
Oseltamivir	ME106454	1.42	0.72	0.86
N2-Acetyl-L-aminoadipate_3	ME106416	1.33	0.77	0.89
Anisatin_2	ME106105	1.39	0.72	0.90
5-Hydroxyferulic acid methyl ester_2	ME106040	1.36	0.75	0.89
N-Acetyl-D-fucosamine	ME106420	1.37	0.74	0.89
10-Deacetyl-2-debenzoylbaccatin III	ME105925	1.35	0.60	1.06
Lysine	ME106384	1.38	0.62	1.00
Tetraneurin A	ME106592	1.35	0.65	1.00
3-Oxododecanoic acid	ME106003	1.26	0.74	0.99
Tolcapone_2	ME106607	1.30	0.77	0.93
Acetyl-maltose_1	ME106087	1.30	0.74	0.97
N-Acetyl-L-glutamate 5-semialdehyde	ME106425	1.29	0.75	0.96
Paucin	ME106467	1.29	0.76	0.95
3^,5^-Cyclic GMP	ME105990	1.24	0.71	1.05
6-Hydroxyindolelactate	ME106055	1.26	0.71	1.03
Tentoxin_5	ME106589	1.28	0.71	1.01
2-Pyridyl hydroxymethane sulfonic acid_3	ME105974	1.30	0.70	1.01
Propyzamide_1	ME106501	1.31	0.68	1.01
2-Pyridyl hydroxymethane sulfonic acid_1	ME105972	1.32	0.70	0.99
Medicarpin 3-O-glucoside-6^-malonate	ME106388	1.30	0.69	0.99
Portulacaxanthin II	ME106489	1.55	0.71	0.74
Glycerophosphoglycerol	ME106314	1.55	0.65	0.80
Phenylgalactoside_3	ME106477	1.52	0.67	0.80
7-Hydroxy-6-methyl-8-ribityl lumazine_2	ME106065	1.47	0.77	0.76
Fluazifop	ME106271	1.53	0.81	0.65
Propantheline chloride	ME106499	1.53	0.78	0.69
Clavulanic acid	ME106182	1.31	1.00	0.69
(R)-2-Hydroxybutane-1,2,4-tricarboxylate_1	ME105910	1.34	0.97	0.70
Lipoamide	ME106373	1.34	0.99	0.67
Sulmazole_2	ME106577	1.35	0.97	0.67
L-Tyrosine methyl ester 4-sulfate	ME106382	1.27	1.04	0.69
2-Hydroxyfelbamate	ME105966	1.29	0.97	0.74
Tributyltin chloride_1	ME106614	1.29	0.97	0.74
Perseitol_1	ME106472	1.27	1.00	0.73
Castanospermine_2	ME106161	1.29	1.00	0.72
S-(2-Hydroxyethyl)-N-acetyl-L-cysteine	ME106535	1.28	1.01	0.71
Cypermethrin	ME106199	1.39	0.94	0.67
Isotan B_2	ME106355	1.40	0.93	0.67
Berberastine	ME106135	1.42	0.90	0.67
Umbelliferone	ME106630	1.42	0.88	0.69
Hexaflumuron	ME106336	1.45	0.86	0.70
sn-Glycero-3-phosphocholine_1	ME106564	1.46	0.86	0.67
HC-toxin_2	ME106331	1.42	0.81	0.77
D-Lombricine	ME106234	1.37	0.83	0.80
Dodecanedioic acid_6	ME106243	1.37	0.81	0.82
8-Epiiridodial glucoside	ME106074	1.39	0.79	0.82
Evadol hydrochloride	ME106262	1.39	0.80	0.81
Graphinone	ME106322	1.39	0.89	0.72
Prodiamine	ME106494	1.35	0.92	0.73
7-Deoxyloganate_1	ME106059	1.36	0.91	0.74
Porphobilinogen	ME106488	1.36	0.90	0.74
Midazolam	ME106400	1.36	0.88	0.75
Sulbactam	ME106572	1.36	0.87	0.77
LL-2,6-Diaminoheptanedioate_1	ME106375	1.34	0.84	0.81
Lophophorine	ME106379	1.34	0.84	0.82
Ripazepam_3	ME106530	1.34	0.84	0.82
4-(4-Deoxy-beta-D-gluc-4-enuronosyl)-D-galacturonate	ME106011	1.33	0.86	0.81
Isotan B_1	ME106354	1.32	0.87	0.81
Zoxazolamine	ME106647	1.31	0.92	0.77
5-Sulfosalicylate_2	ME106050	1.31	0.89	0.80
N-Heptanoylhomoserine lactone	ME106441	1.32	0.89	0.78
8-Amino-7-oxononanoate_1	ME106070	0.83	0.78	1.39
Glucovanillin_2	ME106310	0.76	0.84	1.40
Fraxin_2	ME106277	0.79	0.86	1.35
Quercitrin_2	ME106511	0.80	0.83	1.37
5-Amino-6-(5^-phospho-D-ribitylamino)uracil	ME106036	0.84	0.87	1.28
cis-2-Carboxycyclohexyl-acetic acid_1	ME106176	0.91	0.76	1.33
3,4-Dihydroxyphenylethyleneglycol_2	ME105988	0.88	0.79	1.33
Zizybeoside I	ME106646	0.87	0.81	1.31
Methapyrilene	ME106395	0.92	0.97	1.11
Hymexazol O-glucoside	ME106341	0.89	0.97	1.14
Didrovaltratum	ME106222	0.90	0.98	1.13
S-Ribosyl-L-homocysteine	ME106567	0.90	0.98	1.12
5-O-Methyl-myo-inositol	ME106048	0.87	0.98	1.15
D-Xylonate_1	ME106250	0.84	0.98	1.18
L-Ascorbic acid-2-glucoside	ME106362	0.84	0.99	1.17
Ripazepam_2	ME106529	0.92	0.88	1.20
Sebacic acid_2	ME106549	0.94	0.85	1.21
2,3-Dihydroxy-p-cumate_2	ME105947	0.88	0.95	1.18
Tabtoxinine-beta-lactam_1	ME106581	0.88	0.93	1.18
Berberine chloride_2	ME106137	0.89	0.90	1.21
Methyl 2-diazoacetamidohexonate_1	ME106396	0.91	0.91	1.18
Testolate	ME106590	0.63	1.05	1.26
Quercitrin_1	ME106510	0.74	0.93	1.33
Fraxin_3	ME106278	0.78	0.99	1.23
Methyl 2-diazoacetamidohexonate_2	ME106397	0.81	0.98	1.21
Glaucarubin_3	ME106304	0.81	0.93	1.26
Cyclophosphamide	ME106198	0.77	0.97	1.27
Glycyl-leucine_1	ME106318	0.77	0.96	1.26
Dodecanedioic acid_3	ME106240	0.77	1.04	1.20
4-(2-Aminophenyl)-2,4-dioxobutanoate_1	ME106008	0.75	1.01	1.24
N-Carbamyl-L-glutamate	ME106436	0.72	1.02	1.26
Fenoldopam_2	ME106264	0.86	1.20	0.94
Barbaloin_1	ME106130	0.89	1.16	0.95
Fenpiclonil	ME106265	0.88	1.17	0.96
gamma-Glutamyltyramine	ME106289	0.89	1.14	0.97
Thalassemine_3	ME106595	0.88	1.13	0.99
Corniculatusin	ME106190	0.82	1.14	1.04
Glucoiberverin	ME106306	0.80	1.22	0.98
N-Acetyl-D-tryptophan	ME106423	1.06	1.02	0.92
Menazon	ME106389	1.05	1.01	0.94
L-Cladinose	ME106364	1.04	1.00	0.96
Sedoheptulose_1	ME106554	1.04	1.01	0.95
Lithospermoside	ME106374	1.08	1.03	0.89
Rhododendrin_1	ME106525	1.05	1.08	0.87
GLYCEROL 2-PHOSPHATE	ME106313	1.02	1.06	0.93
Niflumic acid_2	ME106446	1.02	1.06	0.91
Coniferin_2	ME106186	1.04	1.06	0.90
Traumatic acid_1	ME106610	1.04	1.04	0.92
4-Pyridoxate_3	ME106034	0.99	1.06	0.95
Glucotropaeolin	ME106308	0.97	1.05	0.98
7-Deoxyloganate_3	ME106061	0.99	1.12	0.89
Linezolid_1	ME106371	1.00	1.10	0.89
5-Hydroxymethyldeoxycytidylate	ME106043	0.97	1.10	0.93
Podophyllotoxone	ME106486	0.96	1.10	0.95
9,12,13-TriHOME_2	ME106080	0.95	1.10	0.94
Furmecyclox	ME106284	0.95	1.11	0.94
Crotanecine	ME106194	0.94	1.13	0.93
Trimetaphosphoric acid	ME106622	0.92	1.13	0.95
Threonine	ME106603	0.97	0.96	1.07
Indolelactate	ME106345	0.97	0.98	1.05
2-Oxo-6-methylthiohexanoic acid_2	ME105968	0.96	0.98	1.06
Suberic acid	ME106570	0.97	0.98	1.06
Tentoxin_3	ME106587	1.00	0.95	1.05
S-Sulfo-L-cysteine	ME106568	1.02	0.94	1.04
Kanamycin B	ME106357	1.01	0.95	1.04
N-Acetylaspartylglutamate_1	ME106418	1.01	0.96	1.03
D-Galactose 6-sulfate	ME106218	1.03	0.95	1.02
9,12,13-TriHOME_1	ME106079	1.04	0.96	1.00
Flamprop-M	ME106268	1.05	0.95	1.00
L-Tyrosine methyl ester	ME106381	0.99	0.98	1.03
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate_3	ME105916	0.99	0.99	1.02
Azelaic acid	ME106122	0.98	1.00	1.02
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate_2	ME105915	0.98	0.99	1.03
Cyclic GMP-AMP	ME106195	1.03	0.98	0.99
N-ACETYLNEURAMINATE	ME106430	1.02	0.98	1.00
D-GLUCURONOLACTONE	ME106220	1.00	0.99	1.01
Rishitin	ME106532	1.00	0.99	1.01
(9R,10R)-Dihydroxyoctadecanoic acid	ME105906	1.01	0.97	1.01
2,4-Dichlorotoluene	ME105950	1.00	0.98	1.01
2-Ethylhexyl phthalate_1	ME105964	1.01	0.98	1.01
Isosorbide mononitrate	ME106353	1.01	0.98	1.01
3-Hydroxy-2-methylpyridine-4,5-dicarboxylate	ME105998	0.98	1.02	0.99
D-SACCHARIC ACID	ME106248	0.98	1.02	1.00
Botrydial	ME106151	1.01	1.00	0.99
3,5-Dinitroguaiacol	ME105991	1.00	1.00	1.00
Abscisic acid glucose ester_2	ME106085	0.99	1.01	1.00
N-Acetyl-L-leucine_3	ME106428	1.02	1.01	0.97
Coniferyl alcohol	ME106189	1.00	1.03	0.97
Secologanate_2	ME106551	1.00	1.03	0.97
(1E,3E)-4-Hydroxybuta-1,3-diene-1,2,4-tricarboxylate	ME105900	0.88	1.04	1.08
Chlorpromazine N-oxide_2	ME106171	0.86	1.05	1.10
HC-toxin_1	ME106330	0.87	1.02	1.11
Thalassemine_1	ME106593	0.87	1.03	1.10
gamma-Undecalactone	ME106292	0.90	1.09	1.02
(S)-ATPA_1	ME105918	0.90	1.03	1.06
Tentoxin_1	ME106585	0.91	1.02	1.07
4-Hydroxy-2-quinolinecarboxylic acid_2	ME106025	0.92	1.03	1.05
Sulfometuron methyl	ME106573	0.93	1.03	1.04
CITRATE	ME106181	0.94	1.04	1.02
Mercury(2+)	ME106390	0.95	1.03	1.03
cis-2-Carboxycyclohexyl-acetic acid_4	ME106179	1.18	0.76	1.06
Hordatine A	ME106339	1.17	0.77	1.06
Nitrovin	ME106448	1.19	0.75	1.06
Pyricarbate	ME106507	1.19	0.74	1.07
Phenylmethanesulfonyl fluoride_2	ME106479	1.14	0.80	1.06
S-(2-Methylpropanoyl)-dihydrolipoamide	ME106536	1.18	0.81	1.02
3,4-Dihydroxyphenylethyleneglycol_1	ME105987	1.17	0.79	1.04
Didanosine	ME106221	1.18	0.79	1.03
Polypodine B	ME106487	1.16	0.68	1.16
Loganin	ME106378	1.14	0.76	1.10
GW 9662	ME106326	1.15	0.71	1.14
7-Hydroxy-6-methyl-8-ribityl lumazine_1	ME106064	1.15	0.74	1.11
Abscisic acid glucose ester_1	ME106084	1.14	0.73	1.13
Lusitanicoside	ME106383	1.00	0.84	1.16
2,4-Bis(acetamido)-2,4,6-trideoxy-beta-L-altropyranose_2	ME105949	1.03	0.83	1.15
Pantothenate	ME106464	1.02	0.85	1.13
Dantrolene_1	ME106205	1.03	0.84	1.13
Quinolinate	ME106516	1.03	0.84	1.13
4-Hydroxy-2-quinolinecarboxylic acid_1	ME106024	1.01	0.89	1.10
Deoxyloganin_1	ME106216	0.99	0.92	1.10
Riboflavin	ME106527	1.00	0.92	1.08
cis-2-Carboxycyclohexyl-acetic acid_2	ME106177	0.94	0.91	1.15
N-Acetyl-L-leucine_2	ME106427	0.94	0.89	1.17
1,1-Diethyl-2-hydroxy-2-nitrosohydrazine_1	ME105922	0.98	0.89	1.13
Nicotinurate_2	ME106444	0.98	0.90	1.13
2,7-Anhydro-alpha-N-acetylneuraminic acid_1	ME105957	0.97	0.90	1.14
Dihydromyricetin	ME106228	0.97	0.90	1.13
Octamethyltrisiloxane	ME106450	1.00	0.86	1.14
Doxazosin	ME106244	0.98	0.87	1.15
Eseramine_2	ME106259	0.98	0.88	1.14
Histidine	ME106338	1.08	0.84	1.08
Pyridaben	ME106508	1.10	0.83	1.07
4-(beta-D-Glucosyloxy)benzoate	ME106012	1.11	0.80	1.09
EDTA	ME106253	1.06	0.83	1.10
(1-Ribosylimidazole)-4-acetate	ME105901	1.09	0.81	1.10
3-Sulfino-L-alanine	ME106004	1.09	0.80	1.11
Guanidinoethyl methyl phosphate_1	ME106323	1.07	0.81	1.12
Paeonolide	ME106462	1.08	0.82	1.11
2,3-Dihydroxy-p-cumate_1	ME105946	1.09	0.86	1.05
Urate-3-ribonucleoside	ME106633	1.09	0.87	1.04
Bergenin_1	ME106139	1.08	0.88	1.03
Panfuran S	ME106463	1.07	0.88	1.04
Isopentenyladenosine-5^-diphosphate	ME106350	1.10	0.87	1.02
Tussilagine	ME106629	1.10	0.88	1.02
Butopyronoxyl_1	ME106155	1.12	0.86	1.02
(R)-3-((R)-3-Hydroxybutanoyloxy)butanoate_1	ME105914	1.12	0.86	1.02
3^,5^-Cyclic AMP	ME105989	1.11	0.85	1.03
5-Hydroxy-L-tryptophan	ME106042	1.11	0.85	1.04
AMPA_1	ME106098	1.11	0.86	1.04
Nocardicin C	ME106449	1.11	0.86	1.03
O-Propanoylcarnitine	ME106453	1.11	0.86	1.03
Bendiocarb_2	ME106133	1.12	0.84	1.04
Phenylmethanesulfonyl fluoride_1	ME106478	1.14	0.83	1.04
cis-2,3-Dihydroxy-2,3-dihydro-p-cumate	ME106175	1.16	0.84	1.00
Midodrine	ME106401	1.15	0.84	1.02
Uridine	ME106634	1.04	0.93	1.03
Bakkenolide A	ME106127	1.05	0.91	1.04
N-Acetyl-L-leucine_1	ME106426	1.05	0.92	1.03
Pentahomomethionine	ME106469	1.07	0.92	1.02
Testosterone glucuronide	ME106591	1.06	0.92	1.02
3,4,3^-Tri-O-methylellagic acid	ME105983	1.07	0.90	1.03
Pulcherriminic acid	ME106505	1.06	0.91	1.03
Kaempferol 3-sophorotrioside	ME106356	1.06	0.89	1.06
Coniferin_1	ME106185	1.06	0.87	1.07
4,4^-Diaminostilbene dihydrochloride_1	ME106017	1.07	0.87	1.06
Tuliposide B	ME106628	1.06	0.87	1.06
4,4^-Biphenyldithiol_2	ME106014	1.07	0.86	1.07
Castanospermine_1	ME106160	1.06	0.86	1.08
Urate	ME106632	1.02	0.92	1.06
Metazachlor	ME106392	1.04	0.88	1.08
Creatine-D3	ME106191	1.04	0.91	1.07
alpha-N-Acetylneuraminyl-2,6-beta-D-galactosyl-1,4-N-acetyl-beta-D-glucosamine	ME106093	1.04	0.90	1.06
Deoxycoformycin	ME106213	1.03	0.90	1.06
Aspidinol	ME106118	1.04	0.89	1.07
N-ACETYL-DL-GLUTAMIC ACID	ME106421	1.04	0.90	1.07
Ozagrel hydrochloride	ME106460	1.12	1.03	0.86
8-Oxoguanine	ME106078	1.10	1.06	0.84
Versiconal	ME106639	1.11	1.06	0.83
Asparenomycin A_1	ME106115	1.13	1.04	0.83
Thiolactomycin	ME106601	1.13	1.06	0.81
Inosine	ME106347	1.14	1.09	0.76
Leflunomide	ME106366	1.15	1.05	0.79
Diethyl 2-methyl-3-oxosuccinate_2	ME106225	1.20	1.05	0.74
3-Fluoro-cis,cis-muconate	ME105997	1.18	1.01	0.80
Deoxyguanidinoproclavaminic acid	ME106214	1.20	1.00	0.80
Laserpitin	ME106363	1.20	1.01	0.81
(3E)-4-(2-Carboxyphenyl)-2-oxobut-3-enoate	ME105904	1.17	0.99	0.84
N7-Methylguanosine	ME106417	1.20	0.97	0.84
8-Epiiridotrial glucoside	ME106075	1.15	0.97	0.89
7-Deoxyloganetin	ME106062	1.13	0.97	0.89
2-(Acetamidomethylene)succinate	ME105943	1.13	0.99	0.88
alpha-Ribazole	ME106094	1.14	0.98	0.88
Eudistomin C	ME106261	1.11	1.00	0.90
N-Acetylglucosamine 4-sulfate	ME106424	1.10	0.97	0.93
Xanthosine_1	ME106642	1.10	0.98	0.92
N-ACETYL-D-MANNOSAMINE	ME106422	1.12	0.93	0.96
Psicofuranine	ME106504	1.11	0.94	0.96
Tobramycin	ME106605	1.11	0.92	0.97
D-Alanyl-D-serine	ME106200	1.10	0.92	0.98
Rehmaionoside C_1	ME106523	1.10	0.92	0.98
8-Amino-7-oxononanoate_2	ME106071	1.10	0.93	0.98
Androsterone glucuronide	ME106101	1.10	0.93	0.97
O-Succinyl-L-homoserine	ME106455	1.09	0.94	0.97
Tauropine	ME106584	1.09	0.94	0.97
2,3-Dihydrothienamycin	ME105945	1.08	0.94	0.98
gamma-L-Glutamyl-D-alanine	ME106290	1.07	0.95	0.98
Drazoxolon	ME106246	1.07	0.92	1.00
Creatinine	ME106192	1.08	0.93	0.99
Isofenphos	ME106349	1.09	0.93	0.99
Glutamine	ME106312	1.07	0.96	0.97
Secologanate_1	ME106550	1.06	0.97	0.98
1-Caffeoyl-4-deoxyquinic acid_1	ME105931	1.10	0.95	0.95
Pydanon	ME106506	1.08	0.96	0.96
Boc-Asn-OPhNO2	ME106150	1.09	0.96	0.95
Triadimefon	ME106612	1.09	0.96	0.96
Hypoxylone	ME106344	1.13	0.93	0.94
Metaxalone	ME106391	1.13	0.95	0.92
Musca-aurin-VII	ME106409	1.16	0.93	0.91
Triticonazole	ME106624	1.15	0.93	0.92
7-Mercaptoheptanoic acid	ME106066	1.15	0.93	0.92
L-Mimosine	ME106377	1.15	0.93	0.92
Anisatin_1	ME106104	1.16	0.90	0.94
3-(3,4-Dihydroxyphenyl)lactate_1	ME105979	1.16	0.91	0.93
Reduced riboflavin_1	ME106518	1.16	0.91	0.92
Sebacic acid_1	ME106548	1.12	0.89	1.00
Cerulenin	ME106164	1.16	0.87	0.97
beta-Citryl-L-glutamate	ME106141	1.14	0.89	0.97
Phenylacetylglutamine	ME106474	1.15	0.88	0.97
5-Sulfosalicylate_1	ME106049	1.29	0.84	0.87
N2-Acetyl-L-aminoadipate_2	ME106415	1.25	0.88	0.86
HC Blue No. 2_1	ME106327	1.27	0.87	0.86
PHOSPHOCHOLINE	ME106481	1.28	0.86	0.86
9-Hydroxybenzo[a]pyrene-4,5-oxide	ME106081	1.26	0.90	0.83
Gentiopicrin_3	ME106299	1.27	0.91	0.82
(R)-2-Hydroxybutane-1,2,4-tricarboxylate_4	ME105913	1.24	0.94	0.83
S,S-Dimethyl-beta-propiothetin	ME106538	1.22	0.93	0.86
Ascorbate 2-sulfate_1	ME106112	1.20	0.88	0.92
Glucovanillin_3	ME106311	1.21	0.88	0.92
Ascorbate 2-sulfate_2	ME106113	1.20	0.89	0.91
Glucose/Fructose [M+Cl]-	ME106307	1.21	0.89	0.91
N-(2,3-Dihydroxybenzoyl)-L-serine_1	ME106410	1.21	0.89	0.90
Phenylgalactoside_1	ME106475	1.22	0.89	0.90
2-Pyridyl hydroxymethane sulfonic acid_2	ME105973	1.27	0.81	0.91
Scytalone_1	ME106546	1.25	0.85	0.90
Danielone_3	ME106204	1.25	0.83	0.92
N-Acetylaspartylglutamate_2	ME106419	1.24	0.83	0.94
2-Deoxy-D-ribose 1-phosphate	ME105963	1.23	0.83	0.94
2-Oxosuberate	ME105970	1.23	0.83	0.94
N-Acetyl-L-phenylalanine	ME106429	1.22	0.80	0.98
N-Benzyloxycarbonylglycine_1	ME106434	1.21	0.79	1.00
Guanidinoethyl methyl phosphate_2	ME106324	1.20	0.83	0.97
Hyoscyamine methylbromide	ME106342	1.20	0.84	0.96
ISOCITRIC ACID	ME106348	1.21	0.84	0.96
7-Hydroxy-3-(4-methoxyphenyl)-4-propyl-2H-1-benzopyran-2-one	ME106063	1.18	0.87	0.95
Xanthosine_2	ME106643	1.18	0.85	0.97
Cholesterol sulfate	ME106172	1.02	0.70	1.28
Diethyl (2R,3R)-2-methyl-3-hydroxysuccinate	ME106223	1.04	0.66	1.30
5-Hydroxyindoleacetate	ME106041	1.08	0.63	1.29
Genipin_1	ME106294	1.07	0.66	1.27
p,p^-Methoxychlor olefin	ME106461	1.08	0.65	1.26
2-(3^-Methylthio)propylmalic acid	ME105941	1.10	0.67	1.23
Fraxin_1	ME106276	1.05	0.72	1.23
N-Feruloylglycine	ME106440	1.05	0.70	1.25
Secologanin	ME106553	1.05	0.70	1.25
5-Fluorouridine monophosphate	ME106037	1.07	0.69	1.24
Dantrolene_2	ME106206	1.07	0.68	1.25
3-tert-Butyl-5-methylcatechol	ME106007	0.94	0.78	1.28
Tryptophan	ME106625	0.96	0.82	1.22
Glaucarubin_1	ME106302	0.97	0.81	1.23
Tuberonic acid glucoside_2	ME106627	0.97	0.80	1.24
Metconazole	ME106393	1.00	0.79	1.21
7-Mercaptoheptanoylthreonine	ME106067	1.02	0.77	1.21
Bendiocarb_1	ME106132	1.03	0.76	1.21
cyclo-Dopa 5-O-glucoside_2	ME106197	1.08	0.72	1.20
Antirrhinoside	ME106108	1.07	0.77	1.16
Leonuridine_2	ME106368	1.07	0.75	1.18
DIMBOA_1	ME106230	1.15	0.55	1.30
Proparacaine	ME106500	1.16	0.58	1.30
Glycochenodeoxycholate 7-sulfate	ME106315	1.28	0.57	1.16
(R)-(Homo)2-citrate_2	ME105908	1.30	0.57	1.13
DIMBOA-glucoside	ME106232	1.30	0.50	1.20
Vitexin_2	ME106641	1.27	0.52	1.17
Glycocholate	ME106316	1.24	0.62	1.14
Danielone_1	ME106202	1.20	0.65	1.15
Quizalofop-ethyl	ME106517	1.21	0.66	1.14
4-(2-Aminophenyl)-2,4-dioxobutanoate_2	ME106009	1.20	0.59	1.22
Hypoglycin B	ME106343	1.20	0.57	1.23
Forchlorfenuron_3	ME106274	1.19	0.62	1.19
Neostigmine bromide_1	ME106437	1.17	0.62	1.21
5-Amino-4-chloro-2-(2,3-dihydroxyphenyl)-3(2H)-pyridazinone	ME106035	0.97	0.68	1.35
N-(2,3-Dihydroxybenzoyl)-L-serine_2	ME106411	0.96	0.70	1.34
Arg-OEt	ME106109	0.95	0.65	1.40
Perindopril	ME106471	0.94	0.66	1.40
1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione_1	ME105929	1.01	0.62	1.37
Grandidentatin_2	ME106321	0.98	0.65	1.37
4-Amino-4-deoxychorismate_1	ME106021	0.99	0.60	1.42
4-Amino-4-deoxychorismate_2	ME106022	0.98	0.56	1.46
Ripazepam_4	ME106531	1.05	0.58	1.36
4-Carboxy-4-hydroxy-2-oxoadipate	ME106023	1.05	0.55	1.41
Ripazepam_1	ME106528	1.09	0.54	1.37
D-RIBOSE 5-PHOSPHATE	ME106247	0.80	0.69	1.51
Butopyronoxyl_2	ME106156	0.89	0.69	1.42
Balofloxacin_1	ME106128	0.85	0.69	1.46
Naringenin 7-O-beta-D-glucoside	ME106433	0.85	0.72	1.43
Ferrous lactate	ME106267	0.84	0.59	1.58
2-Oxo-6-methylthiohexanoic acid_1	ME105967	0.89	0.57	1.55
3-(4-Hydroxyphenyl)pyruvate	ME105982	0.87	0.55	1.58
3-(3,4-Dihydroxyphenyl)lactate_2	ME105980	0.87	0.62	1.51
Reduced riboflavin_3	ME106520	0.92	0.62	1.46
6-Demethylsterigmatocystin	ME106054	0.95	0.37	1.68
Coniferin_4	ME106188	0.93	0.39	1.68
Rehmaionoside C_2	ME106524	1.07	0.46	1.47
Tributyltin chloride_2	ME106615	1.09	0.42	1.50
Bis-D-fructose 2^,1:2,1^-dianhydride	ME106147	0.93	0.47	1.60
Disperse Blue 1	ME106233	0.96	0.52	1.52
Schizonepetoside E_3	ME106543	1.01	0.49	1.50
1-O-Vanilloyl-beta-D-glucose_1	ME105936	0.98	0.47	1.55
N2-Acetyl-L-aminoadipate_1	ME106414	0.99	0.49	1.53
Balofloxacin_2	ME106129	1.52	0.42	1.06
Danielone_2	ME106203	1.48	0.46	1.05
Glucovanillin_1	ME106309	1.51	0.54	0.95
4,4-Bis[4-(acetyloxy)phenyl]3-hexanone_1	ME106015	1.47	0.51	1.01
7-Methyl-2-hydroxy-6-oxoocta-2,4-dienoate_1	ME106068	1.49	0.50	1.01
Guanidinoethyl methyl phosphate_3	ME106325	1.36	0.51	1.13
Vitexin_1	ME106640	1.37	0.50	1.12
3-(4-Hydroxyphenyl)lactate	ME105981	1.42	0.42	1.16
Triethylene glycol diglycidyl ether_2	ME106620	1.42	0.46	1.12
3-beta-D-Galactosyl-sn-glycerol_3	ME105996	1.37	0.43	1.22
Fructoselysine	ME106280	1.28	0.45	1.27
4,4^-Dichlorobenzophenone_1	ME106019	1.48	0.19	1.34
Potassium cyanate_4	ME106493	1.41	0.30	1.28
Diethyl 2-methyl-3-oxosuccinate_3	ME106226	1.31	0.25	1.43
Thienodolin	ME106600	1.25	0.35	1.40
2-Succinylbenzoate_1	ME105977	1.19	0.42	1.40
Azoxystrobin	ME106125	1.15	0.42	1.43
Autumnolide	ME106121	0.31	1.16	1.53
Decarbamoylgonyautoxin 1_1	ME106210	0.17	1.14	1.69
Atractyloside A	ME106119	0.40	1.01	1.59
Hinokitiol glucoside	ME106337	0.49	0.99	1.52
1-O-Sinapoyl-beta-D-glucose_1	ME105934	0.59	0.89	1.52
Triadimenol	ME106613	0.65	0.83	1.52
Oxmetidine	ME106459	0.64	1.00	1.37
Thiorphan	ME106602	0.62	0.94	1.44
Thalassemine_2	ME106594	0.25	1.59	1.16
Methyldopa anhydrous_1	ME106398	0.54	1.50	0.96
1-O-Vanilloyl-beta-D-glucose_2	ME105937	0.56	1.42	1.02
2,5-Furandicarboxylate_1	ME105955	0.51	1.44	1.05
Moxifloxacin	ME106408	0.41	1.47	1.13
Fraxin_4	ME106279	0.45	1.34	1.21
Chlorphentermine	ME106168	0.45	1.39	1.15
Gentiopicrin_2	ME106298	0.47	1.38	1.15
Chlorpromazine N-oxide_1	ME106170	0.56	1.26	1.18
Isoscoparine_1	ME106351	0.56	1.24	1.25
Isoscoparine_2	ME106352	0.52	1.16	1.37
6-Methoxymellein_1	ME106056	0.48	1.21	1.32
Mitomycin	ME106404	0.49	1.23	1.28
4-O-beta-D-Glucosyl-4-hydroxycinnamate_1	ME106030	0.68	1.18	1.14
Ofloxacin_1	ME106451	0.67	1.18	1.15
Fenvalerate	ME106266	0.72	1.14	1.18
AMCC	ME106096	0.74	1.12	1.15
Indolepyruvate	ME106346	0.74	1.13	1.13
Furcatin	ME106283	0.72	1.30	0.99
2,4-Dinitrophenol	ME105952	0.71	1.25	1.04
(R)-(Homo)2-citrate_1	ME105907	0.75	1.20	1.06
1alpha,5alpha-Epidithio-17a-oxa-D-homoandrostan-3,17-dione_2	ME105930	0.61	1.22	1.12
4-Hydroxycinnamyl alcohol 4-D-glucoside	ME106026	0.61	1.28	1.11
Dodecanedioic acid_4	ME106241	0.63	1.28	1.08
Dodecanedioic acid_1	ME106238	0.63	1.36	1.01
4-O-beta-D-Glucosyl-4-hydroxycinnamate_2	ME106031	0.58	1.36	1.06
2,5-Furandicarboxylate_2	ME105956	0.59	1.32	1.09
4-Pyridoxate_1	ME106032	0.58	1.34	1.08
Chlorbufam	ME106165	2.20	0.01	0.14
Morphine-6-glucuronide	ME106407	2.28	0.00	0.11
N,N-Bis(2-chloroethyl)-DL-alanine hydrochloride	ME106413	2.35	0.01	0.11
Hellicoside	ME106332	1.98	0.00	0.05
Kolaflavanone	ME106358	2.11	0.05	0.07
1,2-Dihydroxynaphthalene-6-sulfonate	ME105924	2.60	0.00	0.15
Altersolanol A	ME106095	2.66	0.07	0.27
Mallotophenone	ME106386	2.70	0.06	0.25
S-(Hydroxyphenylacetothiohydroximoyl)-L-cysteine	ME106537	2.77	0.01	0.21
cyclo-Dopa 5-O-glucoside_1	ME106196	2.74	0.06	0.20
Enoxacin	ME106255	2.72	0.07	0.21
Estazolam	ME106260	2.78	0.10	0.11
Phosphoramide mustard	ME106482	2.72	0.13	0.15
Miraxanthin-II_2	ME106403	2.67	0.11	0.10
Oxaziclomefone	ME106458	2.68	0.11	0.14
Meteloidine	ME106394	3.07	0.06	0.08
Anastrozole	ME106100	2.81	0.03	0.02
DCEBIO_2	ME106208	2.99	0.01	0.01
2-Phosphinomethylmalate	ME105971	2.94	0.01	0.05
Castanospermine_3	ME106162	2.89	0.04	0.07
8-Amino-7-oxononanoate_4	ME106073	2.38	0.42	0.20
Gardenoside	ME106293	2.48	0.40	0.13
6-Methoxymellein_2	ME106057	2.53	0.10	0.38
Epithienamycin B	ME106256	2.53	0.03	0.41
p-Hydroxyphenylacetothiohydroximate_2	ME106484	2.50	0.01	0.26
Glycyl-leucine_2	ME106319	2.63	0.00	0.36
p-Hydroxyphenylacetothiohydroximate_1	ME106483	2.59	0.01	0.29
Phenylpyruvate	ME106480	2.36	0.26	0.37
Coformycin	ME106184	2.44	0.12	0.44
D-Mannitol 1-phosphate	ME106235	2.42	0.17	0.41
Traumatic acid_2	ME106611	2.39	0.21	0.40
Genipin_3	ME106296	2.57	0.18	0.25
Tabtoxinine-beta-lactam_2	ME106582	2.56	0.22	0.22
Chloroxuron	ME106167	2.52	0.21	0.37
Calcium levulinate anhydrous	ME106158	2.44	0.27	0.29
Trimethoprim	ME106623	2.45	0.27	0.28
Sinapate_4	ME106562	1.78	0.36	0.86
MK 571	ME106405	1.87	0.34	0.79
Bis(4^-chlorophenyl)methane_2	ME106146	1.85	0.36	0.79
Nitrogen mustard	ME106447	1.84	0.36	0.79
Baicalin	ME106126	1.73	0.22	1.00
Bis(4^-chlorophenyl)methane_1	ME106145	1.79	0.23	0.99
Flavanone 7-O-[alpha-L-rhamnosyl-(1->2)-beta-D-glucoside]	ME106269	1.68	0.43	1.00
Rehmaionoside A_2	ME106522	1.69	0.40	0.91
2-(2-Chloro-phenyl)-5-(5-methylthiophen-2-yl)-[1,3,4]oxadiazole	ME105940	1.68	0.34	0.97
2,5-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one_1	ME105953	1.71	0.35	0.94
DCEBIO_1	ME106207	1.72	0.33	0.94
Glucocleomin	ME106305	1.57	0.36	1.01
2-Oxo-8-methylthiooctanoic acid	ME105969	1.60	0.22	1.02
Fusarenone X_1	ME106285	1.67	0.28	1.05
Barbaloin_2	ME106131	1.80	0.03	0.97
Asebogenin	ME106114	2.07	0.02	0.76
Hesperetin 7-O-glucoside	ME106334	2.12	0.06	0.67
DIMBOA_2	ME106231	2.01	0.16	0.83
L-Formylkynurenine	ME106370	2.02	0.05	0.94
Potassium cyanate_2	ME106491	1.73	0.71	0.56
Tributyrin_1	ME106617	1.77	0.70	0.53
Dodecanedioic acid_5	ME106242	1.78	0.78	0.44
Pentamidine	ME106470	1.73	0.79	0.48
Propachlor_2	ME106497	1.68	0.83	0.49
10-Oxodecanoate	ME105926	1.59	0.94	0.47
5-Methylthiopentanaldoxime	ME106047	1.58	1.00	0.42
Chlorpromazine	ME106169	1.63	0.84	0.53
Dodecanedioic acid_2	ME106239	1.62	0.88	0.50
Gentiopicrin_1	ME106297	1.59	0.80	0.61
Prostaglandin G2	ME106503	1.59	0.80	0.61
Croconazole	ME106193	1.57	0.85	0.58
Sedoheptulose_2	ME106555	1.56	0.88	0.57
Propanethial S-oxide	ME106498	1.81	0.63	0.55
Shanzhiside	ME106558	1.81	0.62	0.57
5-Guanidino-3-methyl-2-oxopentanoate	ME106038	1.86	0.57	0.56
Leonuridine_1	ME106367	1.83	0.56	0.61
Boc-Asn_2	ME106149	1.85	0.54	0.61
Sesamex_1	ME106556	1.85	0.55	0.60
Fusarenone X_2	ME106286	1.80	0.50	0.70
1-O-Sinapoyl-beta-D-glucose_2	ME105935	1.80	0.55	0.65
Bergenin_2	ME106140	1.77	0.59	0.63
Propyzamide_2	ME106502	1.75	0.55	0.65
Tolcapone_1	ME106606	1.69	0.56	0.75
LL-2,6-Diaminoheptanedioate_2	ME106376	1.72	0.57	0.71
THTA	ME106604	1.70	0.61	0.69
Lamioside	ME106361	1.72	0.64	0.65
3-beta-D-Galactosyl-sn-glycerol_1	ME105994	1.74	0.65	0.61
Neostigmine bromide_3	ME106439	1.71	0.67	0.62
Benzthiazuron	ME106134	1.66	0.64	0.70
erythro-3-Hydroxy-Ls-aspartate	ME106257	1.66	0.65	0.69
Tributyrin_2	ME106618	1.66	0.65	0.68
3-[(3aS,4S,7aS)-7a-Methyl-1,5-dioxo-octahydro-1H-inden-4-yl]propanoate	ME105993	1.64	0.71	0.65
Forchlorfenuron_4	ME106275	1.66	0.69	0.65
Deoxylimononic acid D-ring-lactone	ME106215	1.54	0.52	0.64
Acetyl-maltose_2	ME106088	1.65	0.49	0.86
(S)-ACPA	ME105917	1.61	0.48	0.88
2,7-Anhydro-alpha-N-acetylneuraminic acid_2	ME105958	1.67	0.51	0.82
Thalicarpine	ME106596	1.66	0.50	0.76
Flavonol 3-O-D-xylosylglucoside	ME106270	2.12	0.22	0.48
cis-(Homo)3-aconitate	ME106174	2.28	0.35	0.38
2-Succinylbenzoate_2	ME105978	2.23	0.27	0.50
2,5-Diamino-6-(5-phospho-D-ribitylamino)pyrimidin-4(3H)-one_2	ME105954	2.27	0.26	0.47
Asperuloside	ME106117	2.26	0.27	0.47
Miraxanthin-II_1	ME106402	1.97	0.33	0.47
Ascorbate	ME106111	2.12	0.40	0.49
Oxalosuccinate	ME106456	2.13	0.38	0.49
Robustine	ME106533	2.03	0.46	0.51
Quetiapine	ME106512	1.99	0.40	0.53
Secologanate_3	ME106552	2.04	0.39	0.57
N-Acetylornithine	ME106431	2.05	0.30	0.65
sn-Glycero-3-phosphocholine_2	ME106565	2.00	0.30	0.70
Verrucarin A	ME106637	2.02	0.24	0.68
2-Amino-9,10-epoxy-8-oxodecanoic acid	ME105959	1.92	0.49	0.58
8-Oxodeoxycoformycin	ME106077	1.92	0.38	0.70
CNQX	ME106183	1.97	0.41	0.61
Sinapate_1	ME106559	1.96	0.40	0.65
Quinate	ME106514	2.12	0.75	0.13
Ofloxacin_2	ME106452	1.97	0.68	0.35
Cellobionate	ME106163	1.95	0.62	0.43
Dehypoxanthine futalosine	ME106212	2.02	0.58	0.40
1-O-Galloyl-beta-D-glucose	ME105933	2.15	0.51	0.33
4-(3-Methylbut-2-enyl)-L-tryptophan	ME106010	2.09	0.61	0.31

Factors:

F1	Treatment :Baseline urine
F2	Treatment :Urine after drinking apple juice
F3	Treatment :Urine after drinking cranberry juice

Data matrix