Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003333)

(Analysis AN005460)

Metabolite	Structure	F1	F2	F3
Selsun	ME873436	0.33	0.57	1.68
methylxanthine	ME873185	0.31	0.64	1.61
Pentadecanoyl Ethanolamide	ME873459	0.25	0.62	1.66
N6,N6,N6-Trimethyl-L-lysine	ME873370	0.34	0.49	1.76
1-Methyluric acid	ME873258	0.19	0.52	1.78
3-[(3-Hydroxytridecanoyl)oxy]-4-(trimethylammonio)butanoate	ME873471	0.25	0.54	1.74
N-{(3R)-15-Methyl-3-[(12-methyltridecyl)oxy]hexadecanoyl}glycine	ME873460	0.21	0.57	1.72
NPYR	ME873362	0.09	0.28	2.06
O-pentadecanoylcarnitine	ME873452	0.13	0.28	2.05
N-Stearoyl-L-valine	ME873377	0.11	0.36	1.97
O-heptadecanoylcarnitine	ME873472	0.11	0.33	2.00
Ethephon	ME873429	0.09	0.40	1.94
.alpha.-Chlorohydrin	ME873372	0.08	0.36	1.98
TRILAURYLAMINE	ME873364	0.06	0.38	1.97
2-Amino-1,3,4-octadecanetriol	ME873465	0.15	0.44	1.88
Arachidoyl Ethanolamide	ME873468	0.14	0.47	1.85
N-[(2S,3R,4E,6R)-1,3,6-Trihydroxy-4-octadecen-2-yl]heptadecanamide	ME873464	0.26	0.35	1.93
O-(17-carboxyheptadecanoyl)carnitine	ME873467	0.17	0.38	1.93
Erucamide	ME873295	0.09	0.95	1.39
5-(4-amino-1-ethyl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxy-phenol	ME873270	0.45	0.81	1.40
Dihydrothymine	ME873319	0.38	0.82	1.41
Proline	ME873394	0.40	0.69	1.53
beta-Pyracin	ME873346	0.51	0.71	1.48
Formyl-5-hydroxykynurenamine	ME873433	0.49	0.69	1.50
5-(N,N-Dimethylcarbamimidamido)-2-oxopentanoic acid	ME873164	0.63	0.65	1.49
Guvacoline	ME873192	0.64	0.70	1.44
O-heptanoylcarnitine	ME873254	0.54	0.54	1.63
Benzylformamide	ME873323	0.60	0.56	1.59
Caffeic acid 3-sulfate	ME873284	0.57	0.61	1.55
L-(-)-Methionine	ME873223	0.18	2.08	0.22
L-Phenylalanine	ME873139	0.36	1.92	0.32
Leu-Leu	ME873441	0.29	1.97	0.29
Stigmatellin Y	ME873249	0.25	1.96	0.32
N6-Acetyllysine	ME873141	0.70	1.94	0.17
Valyl-4-hydroxyproline	ME873181	0.71	1.89	0.22
N~2~-Acetyl-L-ornithine	ME873158	0.61	1.87	0.28
Propionylcarnitine	ME873240	0.49	1.87	0.33
Desethylchloroquine	ME873246	0.66	1.53	0.60
1-Cyclopentyl-3-(1H-indol-5-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine	ME873267	0.62	1.64	0.51
trans-2-Dodecenoylcarnitine	ME873241	0.67	1.64	0.48
Decanoylcarnitine	ME873373	0.38	1.85	0.38
3, 5-Tetradecadiencarnitine	ME873399	0.36	1.81	0.43
D-(+)-Tryptophan	ME873160	0.41	1.76	0.46
5-Bromotryptophan	ME873473	0.42	1.79	0.43
trans-3-Indoleacrylic acid	ME873144	0.39	1.79	0.44
C8-Carnitine	ME873190	0.50	1.61	0.58
N-[(3beta,7beta)-3,7-Dihydroxy-24-oxochol-5-en-24-yl]glycine	ME873176	0.51	1.60	0.58
L-Tyrosine	ME873168	0.46	1.67	0.54
Acetyl-L-carnitine	ME873143	0.44	1.71	0.50
(E)-p-coumaric acid	ME873226	0.45	1.71	0.50
Decuroside III	ME873445	0.15	1.42	0.90
Uric acid	ME873211	0.07	1.41	0.94
(2S,3R)-2-Amino-17-methyl-1,3-octadecanediol	ME873217	0.09	1.68	0.66
L(-)-Carnitine	ME873252	0.26	1.55	0.73
UNC1215	ME873233	0.27	1.67	0.61
(2Z)-8-Hydroxy-2-octene-4,6-diynoic acid	ME873293	0.69	1.37	0.75
hypaphorine	ME873149	0.67	1.42	0.71
MFCD03094680	ME873269	0.63	1.46	0.68
5-Hydroxyindole-3-acetic acid	ME873352	0.49	1.41	0.78
Aspartame	ME873277	0.51	1.48	0.70
Nitrendipine	ME873470	0.64	1.18	0.95
Î²-D-3-Ribofuranosyluric acid	ME873466	0.55	1.24	0.93
Militarinone A	ME873403	0.55	1.17	1.00
N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]nonadecanamide	ME873140	0.39	1.21	1.02
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadecanyl]nonadecanamide	ME873412	0.45	1.21	1.00
N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]pentadecanamide	ME873138	0.46	1.11	1.10
C17 dihydro Ceramide (d18:0/17:0)	ME873128	0.43	1.14	1.07
N-[(2S,3R)-1,3-Dihydroxy-2-octadecanyl]tridecanamide	ME873360	0.41	1.13	1.09
2-Hydroxy-4-[(1R)-1-hydroxy-2-(methylamino)ethyl]phenyl Î²-D-glucopyranosiduronic acid	ME873440	0.45	1.05	1.16
5-Allyl-3-methoxy-1,2-benzenediol	ME873356	0.52	1.08	1.10
Cedefingol	ME873469	0.24	1.21	1.07
L-α-PALMITIN	ME873463	0.24	1.25	1.04
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadecanyl]henicosanamide	ME873457	0.36	1.38	0.86
N-[(2S,3S,4R)-1,3,4-Trihydroxy-2-octadecanyl]heptadecanamide	ME873448	0.40	1.32	0.91
N-[(Benzyloxy)carbonyl]-D-phenylalanyl-N~6~-{[(2-methyl-2-propanyl)oxy]carbonyl}-D-lysine	ME873382	0.45	1.30	0.91
3-Hydroxy-3-[(3-methylbutanoyl)oxy]-4-(trimethylammonio)butanoate	ME873161	1.41	1.44	0.40
Dambonitol	ME873442	0.46	0.94	1.26
milenperone	ME873366	0.54	0.84	1.33
1-pyrroline-5-carboxylic acid	ME873316	0.56	0.91	1.26
perphenazine decanoate	ME873350	0.61	0.85	1.29
PYRIDOXAMINE	ME873367	0.59	0.88	1.27
Dimethyl(2-methyl-2-propanyl)[(2-phenyl-3,4,5,6-tetrahydro-2H-benzo[h]chromen-4-yl)oxy]silane	ME873286	0.96	0.77	1.24
Troxipide	ME873309	0.94	0.75	1.27
(6R)-5-Acetamido-3,5-dideoxy-6-[(1R,2R)-1,2-dihydroxy-3-(lactoyloxy)propyl]-alpha-L-threo-hex-2-ulopyranosonic acid	ME873427	0.92	0.68	1.35
3-Amino-4-(2-cyano-1-pyrrolidinyl)-4-oxobutanoic acid	ME873288	0.89	0.71	1.33
4-[(3-Acetamidopropyl)amino]butanoic acid	ME873178	0.89	0.71	1.33
7-Octene-3,5-diyn-1-ol	ME873343	0.76	0.78	1.31
1-(3-Aminopropyl)-2-pyrrolidone	ME873410	0.75	0.80	1.30
Trigonelline	ME873166	0.75	0.80	1.29
Hexylamine	ME873147	0.83	0.81	1.25
Pro-Hyp	ME873194	0.85	0.76	1.30
5-Nitro-o-toluidine	ME873135	0.79	0.71	1.37
6-[(4-Chlorobenzyl)sulfanyl]-3-[2-(4-methoxyphenyl)ethyl]-1,2,3,4-tetrahydro-1,3,5-triazine	ME873237	0.69	0.74	1.38
5-methylthioribose	ME873358	0.63	1.02	1.12
Creatine	ME873234	0.67	1.00	1.12
(2Z)-3-(1,3-Benzodioxol-5-yl)acrylaldehyde	ME873213	0.62	1.07	1.07
Theogallin	ME873474	0.62	1.06	1.08
ser-phe	ME873431	0.72	1.02	1.09
(6-Formyl-2-pyridinyl)methyl methanesulfonate	ME873434	0.71	1.06	1.05
N-feruloylglycine	ME873305	0.67	1.07	1.05
O-Sulfotyrosine	ME873225	0.69	1.04	1.07
8-Azabicyclo[3.2.1]octane-1,2,7-triol	ME873287	0.66	1.05	1.08
Uridine	ME873272	0.67	1.04	1.08
ISOFENPHOS	ME873339	0.92	0.94	1.09
terizidone	ME873451	0.95	0.91	1.11
3-[(6-Oxodecanoyl)oxy]-4-(trimethylammonio)butanoate	ME873151	1.00	0.95	1.05
Glucozaluzanin C	ME873444	0.95	0.98	1.04
2,3,7,9,10,11-Hexahydro-1H-chromeno[6^,5^:4,5]imidazo[1,2-a]pyrimidine-2,10-diylbis(N,N-dimethylmethanamine)	ME873279	0.96	0.96	1.06
3-[(3-Hydroxydecanoyl)oxy]-4-(trimethylammonio)butanoate	ME873338	0.96	0.95	1.07
Pregabalin	ME873174	0.89	0.93	1.11
Adenosine 3^5^-cyclic monophosphate	ME873324	0.89	0.92	1.12
Proglumide	ME873383	0.89	0.92	1.12
apronalide	ME873133	0.88	0.92	1.12
Ethyl {2-[(2E)-5-(hexopyranosyloxy)-2-penten-1-yl]-3-oxocyclopentyl}acetate	ME873265	0.88	0.92	1.12
5-(2-Carboxyethyl)-2-hydroxyphenyl beta-D-glucopyranosiduronic acid	ME873462	0.84	0.91	1.15
N-3-oxo-pentanoyl-L-Homoserine lactone	ME873371	0.85	0.93	1.12
streptobiosamine	ME873337	0.85	0.93	1.13
(4S,7R,8S,9R,10S,11R,15S)-13-Isopropyl-3,7,15-trimethyl-14,16-dioxahexacyclo[7.6.1.0~2,13~.0~3,11~.0~4,8~.0~10,15~]hexadecane-1,4,8,9,10,11-hexol	ME873306	0.87	0.95	1.10
2-p-terphenylboronic acid	ME873404	0.87	0.96	1.09
S-Adenosylhomocysteine	ME873359	0.86	0.96	1.09
DL-Carbidopa	ME873197	0.85	0.98	1.07
DE1625000	ME873378	0.88	0.99	1.06
Ethamivan	ME873426	0.87	1.00	1.05
Val-Leu	ME873438	0.77	0.98	1.10
4-O-(a-D-Glucopyranosyl) moranoline	ME873275	0.83	0.96	1.10
4-Acetamidobutanoic acid	ME873184	0.81	0.99	1.08
MFCD00272697	ME873439	0.82	0.98	1.09
1-Vinyl-2-pyrrolidone	ME873298	0.75	0.89	1.20
kuwanon C	ME873449	0.81	0.86	1.21
[1-{[N~2~-(1H-Indol-3-ylacetyl)lysyl]amino}-3-(methylsulfanyl)propyl]boronic acid	ME873215	0.79	0.88	1.20
Valylvaline	ME873204	0.79	0.87	1.21
5-{[(3-Chlorophenyl)amino]methyl}-N-{3-cyclohexyl-1-[(2-methoxyethyl)amino]-1-oxo-2-propanyl}-2-thiophenecarboxamide	ME873447	0.91	0.82	1.22
2-Methyl-5-propyloxazole	ME873276	0.85	0.87	1.19
4,5-Dihydroxy-3,4,5-trimethyl-4,5,8,10,12,13,13a,13b-octahydro-2H-[1,6]dioxacycloundecino[2,3,4-gh]pyrrolizine-2,6(3H)-dione	ME873388	0.90	0.86	1.18
PENICILLIC ACID	ME873389	0.72	0.97	1.14
dihydrobiopterin	ME873345	0.76	0.95	1.14
ST2975000	ME873300	0.74	0.95	1.15
Furaneol	ME873317	0.62	0.92	1.23
N-{1-[(2-Hydroxyethyl)amino]-1-oxo-2-propanyl}tetradecanamide	ME873363	0.62	0.94	1.21
Ricinine	ME873375	0.67	0.90	1.22
5-Ethyl-4-hydroxy-3(2H)-furanone	ME873310	0.70	0.90	1.21
DAMGO	ME873340	0.70	0.92	1.20
N-[3-Carboxy-2-(carboxymethyl)-2-hydroxypropanoyl]glutamic acid	ME873273	0.71	0.92	1.19
DEMETHYLCHLORPROMAZINE	ME873248	1.03	1.08	0.90
3-hydroxyoctanoylcarnitine	ME873188	1.05	1.09	0.89
H-DL-MET-DL-MET-OH	ME873409	1.07	1.09	0.89
FMNH2	ME873406	1.08	1.07	0.90
Methohexital	ME873263	1.08	1.06	0.91
2-Acetamido-2-ethylbutanamide	ME873353	1.09	1.09	0.87
Cholic acid glucuronide	ME873320	1.10	1.08	0.88
beta-Syringin	ME873387	0.97	1.12	0.89
N6-threonylcarbamoyladenosine	ME873229	0.98	1.13	0.87
biotin	ME873331	0.97	1.08	0.93
Leu-pro	ME873125	0.97	1.10	0.91
1-(1-Ethyl-1H-pyrrol-2-yl)ethanone	ME873420	1.00	1.09	0.91
Succinyladenosine	ME873221	1.01	1.11	0.89
1,4-Dihydro-4-imino-1-Î²-D-ribofuranosyl-3-pyridinecarboxylic acid	ME873189	0.98	1.05	0.96
N-Acetylvanilalanine	ME873435	0.96	1.06	0.96
11H-Benzo[a]fluoren-11-ylacetic acid	ME873330	0.98	1.03	0.98
7,8-Dihydroxy-9,10-epoxy-7,8,9,10-tetrahydrobenzo(a)pyrene	ME873384	0.97	1.01	1.00
L-Pyroglutamic acid	ME873156	0.99	1.01	0.99
2-Acetamido-4-O-[2-(carboxyamino)-2-deoxy-beta-D-glucopyranosyl]-2-deoxy-beta-D-glucopyranose	ME873422	1.01	1.02	0.98
N2-Methylguanosine	ME873206	1.01	1.00	1.00
Acadesine	ME873329	1.06	0.99	0.99
Folinic acid	ME873423	1.06	0.94	1.03
N2-Dimethylguanosine	ME873169	1.03	0.97	1.02
Trabodenoson	ME873417	1.03	0.97	1.02
3-[(1R,2R)-2-[(Dimethylamino)methyl]-1-hydroxycyclohexyl]phenyl Î²-D-glucopyranosiduronic acid	ME873347	1.05	0.97	1.01
6-[2-Formyl-5-(hydroxymethyl)-1H-pyrrol-1-yl]norleucine	ME873283	1.05	0.96	1.02
Formylkynurenine	ME873393	1.06	1.02	0.96
Talarozole	ME873321	1.07	1.03	0.94
val-asn	ME873259	1.10	1.02	0.94
3-[(2,6-Dimethylheptanoyl)oxy]-4-(trimethylammonio)butanoate	ME873127	1.10	0.99	0.97
MFCD00008585	ME873297	1.11	1.00	0.96
N-Acetyl-L-carnosine	ME873198	1.10	1.00	0.96
N,3,4,5-Tetramethoxy-N-methylbenzamide	ME873308	1.18	1.12	0.81
Perindopril	ME873268	1.22	1.12	0.80
TURMERONE, AR-	ME873196	1.24	1.11	0.80
N-[1-(Dihydroxyboryl)-2-phenylethyl]methioninamide	ME873322	1.13	1.10	0.85
3-(2,3-Dihydro-1-benzofuran-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine	ME873173	1.13	1.12	0.82
3-oxo-C12-HSL	ME873303	1.11	1.13	0.82
6,6a,9,10-Tetrahydro-2H,8H-[1,3]oxazino[3,2-a]pyrrolo[4,3,2-de]quinoline-2,3(4H)-dione	ME873325	1.15	1.19	0.75
20-hydroxy-leukotriene E4	ME873398	1.15	1.14	0.80
2-Amino-5-(4-amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol	ME873392	1.13	1.17	0.78
N-(3-Aminopropyl)-3-(3,4-dihydroxyphenyl)propanamide	ME873368	1.14	1.16	0.78
(2Z)-12-Hydroxy-2-(hydroxymethyl)-1-methoxy-11-methyl-7-methylene-6-oxo-5,14-dioxatricyclo[9.2.1.0~4,8~]tetradec-2-en-9-yl (2Z)-2-methyl-2-butenoate	ME873242	1.24	0.96	0.95
thr-tyr	ME873281	1.21	0.96	0.96
5-Hydroxy-DL-tryptophan	ME873201	1.16	1.00	0.94
3-[(3-Hydroxynonanoyl)oxy]-4-(trimethylammonio)butanoate	ME873376	1.20	1.00	0.92
Acetylarginine	ME873199	1.22	1.02	0.90
1-Isopropyl-3-(5-pyrimidinyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine	ME873261	1.15	1.04	0.90
2,6-Diisopropyl-4-(4^,4^,4^-trifluoro-3^-oxo-butyl)anisole	ME873421	1.14	1.06	0.89
(R)-curcumene	ME873344	1.24	1.06	0.86
C8-HSL	ME873437	1.20	1.06	0.87
N-[(2S)-2-Hydroxypropanoyl]methionine	ME873203	1.20	1.07	0.86
5-(4-amino-1-cycloheptyl-pyrazolo[3,4-d]pyrimidin-3-yl)-2-fluoro-phenol	ME873428	0.95	1.29	0.73
2,4-Diacetamido-2,4,6-trideoxy-alpha-D-mannopyranose	ME873180	0.89	1.28	0.76
N-(indol-3-ylacetyl)glutamine	ME873159	0.86	1.32	0.73
Artesunate	ME873335	1.04	1.16	0.82
3-Hydroxy-N-[(3S)-2-oxotetrahydro-3-furanyl]dodecanamide	ME873148	1.03	1.18	0.81
5-[(2-Methyl-2-propanyl)oxy]-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxopentanoic acid	ME873200	1.02	1.17	0.82
cis-4-Decenoyl carnitine	ME873131	1.06	1.15	0.83
Z-Leu-OH	ME873243	1.03	1.14	0.84
2-Amino-4-(1H-imidazol-4-yl)-6-methyl-5,6,7,8-tetrahydro-3-quinolinecarbonitrile	ME873369	1.05	1.13	0.85
N-(3,4-Dihydroxyphenyl)glutamine	ME873280	1.04	1.14	0.85
Hexanoylcarnitine	ME873207	0.99	1.22	0.78
2-methylbutyrylcarnitine	ME873150	1.02	1.22	0.77
4-(1-Carboxyethyl)-3-hydroxy-2-(3-methyl-2-buten-1-yl)phenyl hexopyranosiduronic acid	ME873432	1.02	1.20	0.79
(2E)-N-(4-Amino-2-hydroxybutyl)-3-(3,4-dihydroxyphenyl)acrylamide	ME873228	1.07	1.21	0.76
5-methyltryptamine	ME873348	1.07	1.18	0.80
Pancratistatin	ME873408	0.89	1.24	0.80
Xanthurenic acid	ME873294	0.95	1.25	0.77
delta-guanidinovaleric acid	ME873130	0.93	1.22	0.81
α-Aspartylphenylalanine	ME873218	0.93	1.24	0.79
(1S,6S)-6-Aminooctahydro-1-indolizinyl acetate	ME873443	1.00	1.16	0.84
8-(Methylsulfinyl)octyl isothiocyanate	ME873354	0.97	1.19	0.82
8-hydroxy-7-methylguanine	ME873285	0.97	1.18	0.83
DL-Ala-DL-Phe	ME873307	0.98	1.18	0.83
9-Nitrooleate	ME873195	0.90	1.20	0.84
montirelin	ME873456	0.91	1.20	0.83
O-sebacoylcarnitine	ME873227	0.95	1.16	0.86
gamma-Glutamyl-N~5~-acetylornithine	ME873262	0.91	1.18	0.85
3-[(3-Hydroxyundecanoyl)oxy]-4-(trimethylammonio)butanoate	ME873395	0.94	1.17	0.85
(1S,2R,4R,5R,6S,8R,10S,11S,12R,14R,15R,19S,21R)-6-(3-Furyl)-4,12,16,19-tetrahydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.0~1,14~.0~2,11~.0~5,10~.0~8,10~]henicos-21-yl acetate	ME873418	0.93	1.18	0.85
metioprim	ME873405	0.93	1.18	0.85
(3S,6S)-6-Hydroxy-8-methyl-8-azabicyclo[3.2.1]oct-3-yl (2R)-3-hydroxy-2-phenylpropanoate	ME873257	0.76	1.25	0.84
(2E,4Z)-decadienoylcarnitine	ME873129	0.80	1.28	0.79
6-Methoxy-1H-indol-5-yl Î²-D-glucopyranosiduronic acid	ME873380	0.80	1.28	0.80
Buflomedil	ME873134	0.82	1.20	0.87
MFCD02728197	ME873296	0.82	1.22	0.85
Miraxanthin-V	ME873453	0.76	1.17	0.92
ISOCROMADURINE	ME873446	0.79	1.18	0.90
Urothion	ME873419	0.78	1.19	0.90
12-O-Î²-D-Glucopyranosyloxyjasmonic acid	ME873260	0.74	1.09	1.01
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-3-{3-[2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)ethyl]-3H-diaziren-3-yl}alanine	ME873414	0.77	1.07	1.01
4-Pyridoxic acid	ME873351	0.80	1.05	1.03
Indole	ME873374	0.84	1.04	1.02
26Q0EO75R3	ME873255	0.90	1.04	1.00
NP-015114	ME873220	0.92	1.01	1.02
3-indole carboxylic acid glucuronide	ME873461	0.86	1.06	0.99
SL7800000	ME873238	0.88	1.06	0.99
5^-S-Methyl-5^-thioadenosine	ME873271	0.87	1.08	0.97
Valylproline	ME873208	0.89	1.07	0.97
Nicotinuric acid	ME873182	0.92	1.08	0.95
Xanthine	ME873333	0.88	1.10	0.95
2,3,4,9-Tetrahydro-1H-β-carboline-3-carboxylic acid	ME873381	0.90	1.10	0.94
Hippuric acid	ME873137	0.89	1.11	0.93
thr-pro	ME873145	0.89	1.14	0.90
D-PANTOTHENIC ACID	ME873212	0.90	1.15	0.89
L-gamma-Glutamyl-L-leucine	ME873235	0.89	1.15	0.89
Proacaciberin	ME873349	0.92	1.13	0.90
S(6)-acetyldihydrolipoamide	ME873311	0.92	1.11	0.92
Zizybeoside II	ME873455	0.82	1.17	0.90
Xanthosine	ME873390	0.86	1.14	0.91
α-Hydroxyhippuric acid	ME873264	0.84	1.14	0.92
N~6~-[(Allyloxy)carbonyl]lysine	ME873318	0.79	1.13	0.95
N-Acetylimidoquinone	ME873416	0.84	1.10	0.96
DL-Stachydrine	ME873142	0.83	1.11	0.95
N4-Acetylcytidine	ME873314	0.84	1.11	0.95
N~6~-{[(2E)-2-Cycloocten-1-yloxy]carbonyl}lysine	ME873304	1.28	1.22	0.67
3-hydroxy-cis-5-octenoylcarnitine	ME873289	1.16	1.23	0.71
C4-Carnitine	ME873136	1.12	1.29	0.66
2,6-Diisopropyl-4-(4^,4^,4^-trifluoro-3^-oxo-butyl)anisole oxime	ME873407	0.96	1.42	0.60
9-Aminononanoic acid	ME873175	0.96	1.35	0.66
Indole-3-acryloylglycine	ME873163	0.98	1.36	0.65
EUROPINE	ME873202	1.01	1.33	0.66
isodesmosine	ME873402	1.05	1.34	0.64
2-Hexenoylcarnitine	ME873230	1.15	1.35	0.59
4-Methyl-5-thiazoleethanol	ME873357	1.09	1.36	0.60
Acetoacetyl-S-N-acetyl cysteamine	ME873239	1.11	1.36	0.60
N-Acetyl-S-2-hydroxyethyl-L-cysteine	ME873152	1.13	1.45	0.50
N-(3-Carboxypropanoyl)methionine	ME873162	1.07	1.42	0.56
2-{(E)-2-[3,5-Dihydroxy-4-(3-methyl-2-buten-1-yl)phenyl]vinyl}-5-hydroxyphenyl hexopyranosiduronic acid	ME873327	1.02	1.45	0.54
(9Z)-3-hydroxydodecenoylcarnitine	ME873250	1.04	1.47	0.52
2,6-Diisopropyl-4-trifluoroacetyl anisole	ME873282	0.94	1.54	0.49
(2R)-2-(Decanoyloxy)-3-({[(2S)-2,3-dihydroxypropoxy](hydroxy)phosphoryl}oxy)propyl decanoate	ME873450	0.85	1.48	0.58
1-Cyclopentyl-3-(3,4-dimethoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine	ME873411	0.84	1.38	0.68
Istamycin C1	ME873251	0.84	1.43	0.63
(+)-ar-Turmerone	ME873253	1.84	0.73	0.96
Indole-3-acetic-acid-O-glucuronide	ME873274	1.71	0.84	0.89
Abacavir	ME873167	1.80	0.49	1.21
3-(4-Fluoro-3-methoxyphenyl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine	ME873244	1.67	0.59	1.16
2-Amino-5-(4-amino-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol	ME873165	1.55	0.57	1.23
lycopsamine	ME873290	1.57	0.60	1.19
(2E)-9,10-Dihydroxy-2-decenoic acid	ME873425	1.08	0.81	1.16
(4-Phenyl-2H-1,2,3-triazol-2-yl)(1-pyrrolidinyl)methanone	ME873231	1.08	0.82	1.15
1-(6-Hydroxy-5-methoxy-3,8-dihydropyrrolo[2,3-b]indol-1(2H)-yl)ethanone	ME873209	1.00	0.84	1.15
lentiginosine	ME873132	1.04	0.84	1.15
Alizapride	ME873157	1.03	0.81	1.17
pro-phe	ME873454	1.04	0.82	1.17
S-inosyl-L-homocysteine	ME873396	0.95	0.87	1.15
Miotine	ME873424	1.04	0.89	1.10
Valclavam	ME873355	1.03	0.90	1.09
ixoroside	ME873365	1.01	0.88	1.12
Lithospermoside	ME873458	0.99	0.89	1.12
Methyl (3E)-5-[(1R,2R)-2-(2-methoxy-2-oxoethyl)-5-oxocyclopentyl]-3-pentenoate	ME873334	1.17	0.81	1.13
(3E)-6-(2,5-Dihydroxy-4-methylphenyl)-5-hydroxy-3-hepten-2-one	ME873326	1.13	0.81	1.14
β-Asarone	ME873313	1.14	0.80	1.15
1-(beta-D-ribofuranosyl)thymine	ME873328	1.13	0.76	1.19
butoctamide	ME873266	1.17	0.74	1.19
(2R,3S)-3-(4,7-Nonadienoyl)-2-oxiranecarboxamide	ME873401	1.19	0.76	1.17
Bamifylline	ME873397	1.20	0.76	1.16
3,6-Dioxodecanoic acid	ME873415	1.13	0.86	1.09
YK6000000	ME873301	1.10	0.87	1.09
Ankorine	ME873216	1.12	0.92	1.03
pC-HSL	ME873187	1.13	0.90	1.05
(6S,7S,9Z)-17-Carboxy-6-hydroxy-9-heptadecen-7-yl alpha-D-talopyranosiduronic acid	ME873386	1.19	0.89	1.03
fenetylline	ME873315	1.16	0.92	1.02
5-guanidino-2-oxopentanoic acid	ME873291	1.28	0.81	1.08
Biopterin	ME873379	1.25	0.80	1.11
4-Fluoro-N-(4-fluorobenzoyl)-N-{2-[4-(2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-1-piperidinyl]ethyl}benzamide	ME873385	1.25	0.88	1.03
Tegaserod	ME873186	1.24	0.87	1.04
5-(2,3-Dihydroxy-3-methylbutyl)-4-[(3,3-dimethyl-2-oxiranyl)acetyl]-3,4-dihydroxy-2-(3-methylbutanoyl)-2-cyclopenten-1-one	ME873332	1.18	0.86	1.07
6-[(Hexopyranosyloxy)methyl]-6,12-dihydroxy-11-methyl-16-oxo-15-oxapentacyclo[9.3.2.1~5,8~.0~1,10~.0~2,8~]heptadecane-9-carboxylic acid	ME873214	1.21	0.86	1.06
(5Z)-13-carboxytridec-5-enoylcarnitine	ME873312	1.31	0.92	0.97
(2E)-octenoylcarnitine	ME873124	1.32	0.88	1.00
(3R,5R)-1-Methyl-2-oxo-5-(3-pyridinyl)-3-pyrrolidinyl beta-D-glucopyranosiduronic acid	ME873153	1.32	0.89	0.99
Nepsilon-Cyclopentyloxy-carbonyl-L-Lysine	ME873224	1.40	0.82	1.03
Oseltamivir	ME873342	1.34	0.81	1.06
1,7-Dihydroxy-12-methyl-13-vinyl-2,10-dioxatetracyclo[5.4.1.1~8,11~.0~4,12~]tridecan-9-one	ME873400	1.32	0.82	1.07
4-Hydroxyprolylleucine	ME873177	1.31	0.82	1.06
3-Hydroxy-N-[(3S)-2-oxotetrahydro-3-furanyl]decanamide	ME873170	1.34	0.84	1.04
Hydroxyhexanoycarnitine	ME873219	1.36	0.85	1.01
5-[4-Amino-1-(3-methylcyclopentyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenol	ME873179	1.29	0.69	1.20
3-(3,4-Dimethoxyphenyl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine	ME873183	1.35	0.71	1.15
thymol sulfate	ME873341	1.31	0.72	1.17
S-(2-Acetamidoethyl) (4E)-3,7-dihydroxy-4-octenethioate	ME873245	1.43	0.71	1.13
N-{3-[(4-Acetamidobutyl)amino]propyl}acetamide	ME873222	1.40	0.76	1.09
batelapine	ME873413	1.36	0.75	1.11
Nadolol	ME873123	1.35	0.77	1.10
2-Hydroxy-3-(phosphonooxy)propyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate	ME873299	1.33	0.99	0.89
L-alpha-Aspartyl-L-phenylalanine	ME873154	1.37	1.04	0.82
Vorapaxar	ME873430	1.46	0.94	0.89
Homocitrulline	ME873232	1.39	0.91	0.95
MFCD00672388	ME873336	1.41	0.93	0.92
N-Phenylacetylglutamic acid	ME873236	1.56	0.87	0.91
Supinine	ME873205	1.49	0.86	0.96
5-guanidino-3-methyl-2-oxopentanoic acid	ME873172	1.07	0.62	1.35
Myriocin	ME873247	1.03	0.67	1.32
dihomomethionine	ME873292	1.09	0.55	1.42
homomethionine	ME873155	1.16	0.53	1.41
Methyl (2R,3S)-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate	ME873278	1.21	0.64	1.28
5-(4-Amino-1-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-ethoxyphenol	ME873191	1.36	0.62	1.25
pimozide	ME873193	1.37	0.65	1.21
N~2~-[(2E)-3-Methyl-2-hexenoyl]-L-glutamine	ME873126	1.38	0.55	1.31
3-(2,3-Dimethylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine	ME873302	1.30	0.61	1.28
5-Methyl-N-[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]-1,2-oxazole-3-carboxamide	ME873391	1.30	0.58	1.30
1-Benzyl-7,8-dimethoxy-3-phenyl-3H-pyrazolo[3,4-c]isoquinoline	ME873361	1.48	0.47	1.35
trihomomethionine	ME873171	1.50	0.49	1.33
THTA	ME873146	1.29	0.42	1.47
4,4^-Thiobis(butan-2-one)	ME873210	1.37	0.46	1.40
Etilevodopa	ME873256	1.40	0.45	1.40

Factors:

F1	Sample source:Solvent Mixture \| Altitude:QC
F2	Sample source:Urine \| Altitude:Base Line
F3	Sample source:Urine \| Altitude:High Altitude

Data matrix