Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003896)

Reversed phase POSITIVE ION MODE (Analysis AN006399)

Metabolite	Structure	F1	F2	F3
Pyroglutamic acid	ME1032104	0.24	0.23	2.53
Arginine	ME1031821	2.09	0.43	0.48
Linoleyl carnitine	ME1031953	1.48	0.71	0.81
Decenoylcarnitine	ME1031854	1.55	0.67	0.78
Octanoylcarnitine	ME1032015	1.52	0.71	0.77
Alloxanthin	ME1031809	1.41	0.76	0.83
Octadecenoylcarnitine	ME1032013	1.43	0.72	0.85
gamma-Linolenic acid	ME1031905	1.37	0.80	0.83
13-HOTE	ME1032014	1.42	0.79	0.79
9(S)-HOTrE	ME1032217	1.40	0.81	0.79
"(5Z,8Z)-Tetradecadienoylcarnitine"	ME1032214	1.66	0.65	0.69
Decanoylcarnitine	ME1031853	1.66	0.63	0.71
Hexanoylcarnitine	ME1031924	1.59	0.59	0.82
Tetradecenoylcarnitine	ME1032134	1.64	0.58	0.78
2-((2R)-2-Hydroxycyclohexyl)acetic acid	ME1032103	1.73	0.70	0.58
Galactosylceramide (d18:1/16:0)	ME1031901	1.62	0.78	0.60
Valylserine	ME1032157	0.73	1.33	0.95
"12alpha-12-Hydroxy-7,13-abietadien-18-oic acid"	ME1031992	0.79	1.34	0.88
2^-O-Methyluridine	ME1032168	0.84	1.27	0.89
"3a-Methyl-2,3,4,5,5a,10,10a,10b-octahydro-1H-cyclopenta[a]fluorene-2,3,7-triol"	ME1032179	0.80	1.29	0.91
"(ent-7alpha)-7-Hydroxy-8(14),15-pimaradien-19-oic acid"	ME1031826	0.81	1.29	0.91
19-Hydroxyprostaglandin E1	ME1032048	0.80	1.16	1.04
4-Pyridoxic acid	ME1032201	0.87	1.19	0.94
Oxandrolone	ME1032022	0.87	1.18	0.95
Eicosapentaenoic acid	ME1031886	0.82	1.23	0.95
Isopimaric acid	ME1031941	0.84	1.22	0.94
Nicotinamide N-oxide	ME1032007	0.77	1.50	0.72
Triphenyl phosphate	ME1032146	0.64	1.45	0.91
Arachidonic acid	ME1031820	1.06	1.08	0.86
Urocanic acid	ME1032154	0.81	1.10	1.09
Isovalerylcarnitine	ME1031943	0.83	1.08	1.09
"LysoPC(0:0/18:2(9Z,12Z))"	ME1031955	0.84	1.09	1.07
1-Hydroxy-2-naphthoic acid	ME1032081	0.84	1.02	1.14
Gluconic acid	ME1031907	0.86	1.02	1.12
Azelaic acid	ME1031824	0.82	1.05	1.12
Uric acid	ME1032151	0.85	1.04	1.11
Mesaconic acid	ME1031975	0.84	1.05	1.11
Proline	ME1032094	0.85	1.05	1.10
o-Tyrosine	ME1032021	0.80	1.02	1.18
(S)-3-Hydroxybutyric acid	ME1031870	0.83	0.99	1.18
Diisooctyl phthalate	ME1031877	0.74	1.09	1.18
N-Acetylleucine	ME1032004	0.79	1.07	1.15
Succinic acid-d4	ME1032127	0.88	1.04	1.09
"3,4-Dihydroxymandelic acid"	ME1032175	0.91	1.03	1.06
Oxibendazole	ME1032023	0.92	1.02	1.06
Xestoaminol C	ME1032161	0.92	1.02	1.06
Methylmalonic acid	ME1031984	0.89	1.03	1.07
"1,2-Cyclohexanedicarboxylic acid"	ME1031915	0.90	1.03	1.07
N-methyl-L-glutamic Acid	ME1032009	0.90	1.03	1.07
"PE(16:0/20:4(5Z,8Z,11Z,14Z))"	ME1032068	0.90	1.02	1.08
Tyrosine	ME1032149	0.90	1.01	1.09
3-Hydroxymethylglutaric acid	ME1032187	0.96	0.96	1.09
Indole-4-carboxaldehyde	ME1031931	0.95	0.96	1.09
Allysine	ME1031810	0.94	0.97	1.09
PE(18:1(9Z)/18:1(9Z))	ME1032074	0.93	0.97	1.10
Erythrose	ME1031893	0.93	0.96	1.12
4-Hydroxydodecanoic acid	ME1032199	0.95	0.94	1.11
DNP-DL-Methionine	ME1031879	0.94	0.95	1.11
Phenylalanine	ME1032082	0.91	0.99	1.10
5-Hydroxyindoleacetic acid	ME1032207	0.91	1.00	1.09
o-Phenetidine	ME1032018	0.91	1.00	1.10
N-Acetylaminooctanoic acid	ME1031999	0.92	0.97	1.11
Arabinonic acid	ME1031817	0.92	0.98	1.10
Glutamic acid	ME1031909	0.91	0.98	1.11
Benzoic acid	ME1031827	0.89	1.00	1.11
Metyrosine	ME1031985	0.89	1.00	1.11
Norvaline	ME1032010	0.89	0.98	1.13
Urobilin	ME1032153	0.90	0.98	1.12
Leucine	ME1031951	0.97	0.88	1.14
Nutriacholic acid	ME1032012	0.94	0.91	1.14
Succinic acid semialdehyde	ME1032126	0.93	0.92	1.14
"1,3,5-Trihydroxybenzene"	ME1031937	0.94	0.93	1.13
10-Hydroxy-2-decenoic acid	ME1031959	0.95	0.92	1.13
Threonine	ME1032141	0.96	0.92	1.12
Lactic acid	ME1031947	0.87	0.97	1.16
10-Hydroxydecanoic acid	ME1031970	0.89	0.93	1.18
Glucose	ME1031908	0.89	0.92	1.18
Ursodeoxycholic acid	ME1032155	1.02	0.97	1.01
Erucic acid	ME1031891	1.02	0.97	1.01
p-Cresol	ME1032063	1.02	0.97	1.01
Biliverdin	ME1031830	1.03	0.96	1.01
Chenodeoxycholic acid 24-acyl-D-glucuronide	ME1031836	1.02	0.96	1.01
Glutamylserine	ME1031911	1.04	0.95	1.01
"DG(18:2(9Z,12Z)/18:2(9Z,12Z)/0:0)"	ME1031868	1.03	0.96	1.02
Indole-3-acetic acid	ME1031930	1.03	0.95	1.02
xi-5-Dodecanolide	ME1032162	1.04	0.97	1.00
13-Docosenamide	ME1032003	1.05	0.96	1.00
"3-Aminopiperidine-2,6-dione"	ME1032182	1.04	0.96	1.00
hexaminolevulinate	ME1031923	1.03	0.98	0.98
5-Hydroxyindole	ME1032206	1.04	0.98	0.98
Isoquinoline	ME1031942	1.04	0.98	0.98
MG(22:1(13Z)/0:0/0:0)	ME1031987	1.02	0.98	1.00
Tetradecanedioic acid	ME1032133	1.02	0.98	1.00
Docosanamide	ME1031880	1.03	0.98	0.99
Auberganol	ME1031822	1.03	0.98	0.99
"DG(18:2(9Z,12Z)/18:1(9Z)/0:0)"	ME1031867	1.03	0.98	0.99
2-(4-Methylphenyl)-1-propanol	ME1032114	1.03	0.97	1.00
N-Isobutyloctadeca-trans-2-trans-4-dienamide	ME1032008	1.03	0.97	0.99
PE(16:0/18:1(11Z))	ME1032066	1.03	0.97	0.99
1-Hexadecanoyl-2-octadecadienoyl-sn-glycero-3-phosphocholine	ME1032070	1.08	0.96	0.97
PE(18:0/18:1(9Z))	ME1032071	1.08	0.95	0.97
"8,13-Abietadien-18-oic acid"	ME1032215	1.05	0.95	0.99
2-Propenoic acid	ME1032171	1.06	0.95	0.99
"PE(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	ME1032069	1.06	0.95	0.99
cis-Vaccenic acid	ME1031844	1.06	0.95	0.98
"PE(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	ME1032073	1.07	0.95	0.98
Monoolein	ME1031995	1.06	0.97	0.97
PS(18:0/18:1(9Z))	ME1032101	1.06	0.97	0.97
Lauroyl diethanolamide	ME1031949	1.05	0.96	0.98
PC(18:1(9Z)/14:0)	ME1032047	1.05	0.97	0.98
PC(16:0/14:0)	ME1032031	1.06	0.94	1.00
Methyl jasmonate	ME1031982	1.05	0.94	1.01
Theobromine	ME1032139	1.05	0.94	1.00
alpha-Ketoisovaleric acid	ME1031813	1.05	0.93	1.02
Blumenol C glucoside	ME1031831	1.06	0.93	1.01
Cholesterol sulfate	ME1031838	1.08	0.92	1.00
LysoPC(16:0/0:0)	ME1031958	1.07	0.92	1.00
3-(2-Ethylhexyl)phthalic acid	ME1032174	1.08	0.94	0.99
Valeric acid	ME1032156	1.07	0.93	0.99
4-tert-Butylphenol	ME1032202	1.09	0.97	0.93
Ornithine	ME1032019	1.09	0.97	0.94
Stearolic acid	ME1032122	1.10	0.96	0.94
Testosterone	ME1032132	1.11	0.96	0.93
DG(18:1(9Z)/16:0/0:0)	ME1031866	1.09	0.99	0.91
2-Hydroxy-3-methylbutyric acid	ME1032163	1.08	0.99	0.93
"2,6-Di-tert-butylbenzoquinone"	ME1032125	1.07	1.01	0.92
Diethylhexyl adipate	ME1031873	1.07	1.00	0.92
Oligomycin	ME1032017	1.06	1.00	0.94
3-Hydroxyisovalerylcarnitine	ME1032186	1.06	1.00	0.95
alpha-Ionone	ME1031812	1.05	1.00	0.95
N-[(3s)-2-Oxotetrahydrofuran-3-Yl]butanamide	ME1031996	1.05	0.98	0.97
"DG(16:0/18:2(9Z,12Z)/0:0)"	ME1031863	1.06	0.98	0.96
LysoPE(18:0/0:0)	ME1031972	1.05	0.99	0.96
Mesterolone	ME1031976	1.05	0.99	0.96
Ergothioneine	ME1031890	1.04	0.99	0.97
Deoxycorticosterone acetate	ME1031860	1.03	1.00	0.96
15-Hexadecynoic acid	ME1032037	1.04	1.00	0.96
Vitamin A	ME1032160	1.04	1.00	0.96
"ent-6,16-Kauradien-19-oic acid"	ME1031887	1.04	1.05	0.91
LysoPE(16:0/0:0)	ME1031971	1.03	1.02	0.95
Oleamide	ME1032016	1.03	1.02	0.96
Palmitelaidic acid	ME1032024	1.03	1.04	0.94
Prostaglandin E1	ME1032097	1.02	1.04	0.94
(20R)-17-Hydroxypregnenolone sulfate	ME1032025	0.99	0.96	1.05
3alpha-Hydroxy-5alpha-pregnan-20-one sulfate	ME1032178	0.98	0.97	1.05
9(S)-HpODE	ME1032218	0.97	0.96	1.07
Epitestosterone sulfate	ME1031888	0.97	0.97	1.06
Pipecolic acid	ME1032088	0.97	0.97	1.06
Dihydrouracil	ME1031876	1.00	0.94	1.06
Monomethyl phthalate	ME1031993	1.00	0.95	1.05
Benzaldehyde	ME1031825	1.01	0.94	1.05
Dephostatin	ME1031861	1.01	0.95	1.04
Indoleacrylic acid	ME1031932	1.03	0.94	1.03
7-Epi-12-hydroxyjasmonic acid	ME1032213	1.03	0.92	1.05
Mandelic acid	ME1031974	1.03	0.92	1.05
Glycyl-Threonine	ME1031920	1.03	0.90	1.08
Arabinopyranose	ME1031818	1.00	0.91	1.09
N-ACE	ME1031808	0.99	0.93	1.08
Tricosanoic acid	ME1032143	1.01	0.98	1.01
Pi-Methylimidazoleacetic acid	ME1032087	1.01	0.98	1.01
Prostaglandin lactone-diol	ME1032100	1.01	0.98	1.01
5a-Androstan-3b-ol	ME1032204	1.00	0.99	1.01
TRIS(3-CHLOROPROPYL)PHOSPHATE	ME1032147	1.00	0.99	1.01
piperidine-1-carboxamide	ME1032089	1.00	0.98	1.01
Psilostachyin	ME1032102	1.00	0.98	1.01
Methoxypyrazine	ME1031978	1.00	0.98	1.02
Quinic acid	ME1032105	1.00	0.99	1.02
Succinic acid	ME1032124	0.98	1.00	1.02
Phenacemide	ME1032080	0.99	0.99	1.02
Lenticin	ME1031950	0.99	0.99	1.02
Kynurenine	ME1031945	0.99	0.99	1.02
1-Cyclohexene-1-carboxylic acid	ME1032059	0.99	0.99	1.02
3-Phenyllactic acid	ME1032194	0.99	0.99	1.02
Monoethylhexyl phthalic acid	ME1031990	0.99	0.99	1.01
2-Hydroxyglutaric acid	ME1032164	0.99	0.99	1.01
Hydroxytyrosol Acetate	ME1031928	0.99	0.99	1.01
Monooctyl phthalate	ME1031994	0.99	1.00	1.02
N-Acetylvanilalanine	ME1032006	0.99	1.00	1.01
Monoisobutyl phthalic acid	ME1031991	0.99	1.00	1.01
"5-Methyl-4-((1R,6R)-3-methyl-6-(1-methylethenyl)-2-cyclohexen-1-yl)-1,3-benzenediol"	ME1032209	0.99	1.00	1.01
Alanylglycine	ME1031807	0.99	1.00	1.01
"PC(16:0/20:4(5Z,8Z,11Z,14Z))"	ME1032035	1.01	0.97	1.02
"1,11-Undecanedicarboxylic acid"	ME1031903	1.00	0.97	1.03
Diethyl malonate	ME1031872	1.00	0.97	1.03
3-Methylindole	ME1032189	1.01	0.96	1.03
Pregnenolone sulfate	ME1032093	1.01	0.96	1.03
4-Acetamidobutanoic acid	ME1032197	0.99	0.98	1.02
gamma-Aminobutyric acid	ME1031902	0.99	0.98	1.03
Indoxyl sulfate	ME1031935	0.99	0.98	1.03
Diethyl fumarate	ME1031871	0.98	0.98	1.04
"PI(18:0/20:4(5Z,8Z,11Z,14Z))"	ME1032086	0.98	0.98	1.04
3-Hydroxybenzoic acid	ME1032184	0.99	0.98	1.04
Alanine	ME1031806	0.99	0.97	1.04
Vanillic acid	ME1032158	0.98	1.02	1.00
cis-4-Hydroxyproline	ME1031842	0.98	1.02	1.00
Ethylenediaminetetraacetic acid	ME1031896	0.98	1.02	1.00
5Z-Dodecenoic acid	ME1032210	0.99	1.01	1.00
Methionine sulfoxide	ME1031977	0.99	1.01	1.00
"(3x,5a,9x,10b)-O-(3-Hydroxy-6-oxo-7-drimen-11-yl)umbelliferone"	ME1032192	0.99	1.02	1.00
Propionylcarnitine	ME1032095	0.99	1.02	0.99
5-Bromotryptophan	ME1032205	0.99	1.02	0.99
Glutaric acid	ME1031912	0.99	1.02	0.99
Glyceryl monolinoleate	ME1031916	1.00	1.03	0.97
Epsilon-caprolactam	ME1031889	1.00	1.02	0.98
Avocadene 1-acetate	ME1031823	0.99	1.03	0.98
Curcumol	ME1031852	0.99	1.02	0.98
"L,L-Cyclo(leucylprolyl)"	ME1031946	1.02	1.00	0.98
2-Butyloctyl sulfate	ME1032159	1.02	1.01	0.97
3-Oxoglutaric acid	ME1032191	1.02	1.01	0.97
Indolelactic acid	ME1031933	1.01	1.01	0.98
3-Amino-4-methylpentanoic acid	ME1032180	1.01	1.01	0.98
C75 trans	ME1031833	1.01	1.01	0.98
Estreptoquinasa	ME1031895	1.01	0.99	1.00
Fasoracetam	ME1031899	1.01	0.99	1.00
2-Methylglutaric acid	ME1032166	1.02	0.99	0.99
Lubiminol	ME1031954	1.02	0.99	0.99
2-Amino-3-(1-pyrazolyl)propanoic acid	ME1032137	1.01	0.99	0.99
Arachidic acid	ME1031819	1.01	0.99	0.99
IS	ME1031936	1.01	1.00	0.99
2-Aminoisobutyric acid	ME1032148	1.01	1.00	0.99
Dehydroepiandrosterone	ME1031855	1.01	1.00	0.99
Ethylmalonic acid	ME1031897	1.00	1.01	0.99
Ureidoisobutyric acid	ME1032150	1.01	1.00	1.00
Orotidine	ME1032020	1.00	1.00	1.00
Hexadecanedioic acid	ME1031921	1.00	1.00	1.00
But-2-enoic acid	ME1031832	1.00	1.00	1.00
Dihydro-5-propyl-2(3H)-furanone	ME1031875	1.00	1.00	1.00
Indoline	ME1031934	0.95	0.98	1.07
"PE(16:0/18:2(9Z,12Z))"	ME1032067	0.94	0.99	1.06
N-Acetyltryptophan	ME1032005	0.96	0.99	1.05
p-Cresol sulfate	ME1032064	0.96	0.99	1.05
3-Carboxy-4-methyl-5-propyl-2-furanpropionic acid	ME1032183	0.95	1.00	1.04
Dimethyl adipate	ME1031878	0.95	1.01	1.04
"PE(18:0/20:4(5Z,8Z,11Z,14Z))"	ME1032072	0.96	1.00	1.04
2-Propylglutaric acid	ME1032172	0.96	1.01	1.03
4-Nitrophenol	ME1032200	0.96	1.01	1.04
Sphingosine	ME1032117	0.93	1.01	1.06
Monoethyl phthalate	ME1031989	0.94	1.01	1.04
Phenylalanylproline	ME1032083	0.94	1.01	1.05
Creatinine	ME1031851	0.94	1.01	1.05
Dehydroepiandrosterone sulfate	ME1031856	0.94	1.01	1.05
Isocitric acid	ME1031938	0.94	1.03	1.03
"(2R)-2-Hydroxy-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl (9Z,12Z)-octadeca-9,12-dienoate"	ME1032181	0.94	1.02	1.04
Ketoleucine	ME1031944	0.94	1.02	1.03
Corticosterone	ME1031849	0.93	1.03	1.04
Sedoheptulose	ME1032106	0.93	1.02	1.05
cis-Aconitic acid	ME1031843	0.94	1.04	1.02
Androstenediol 3-sulfate	ME1031816	0.93	1.05	1.02
Etidocaine	ME1031898	0.93	1.05	1.02
Cinnamaldehyde	ME1031840	0.95	1.03	1.02
"Methyl 4,8-decadienoate"	ME1031979	0.96	1.02	1.02
"3,4-Dimethylbenzaldehyde"	ME1032176	0.96	1.02	1.02
"4,6-Dinitro-O-cresol"	ME1032195	0.96	1.02	1.02
N6-Carboxymethyllysine	ME1031998	0.96	1.03	1.01
3-Isopropylmalic acid	ME1032188	0.96	1.03	1.01
LysoPE(18:1(9Z)/0:0)	ME1031973	0.96	1.03	1.01
(R)C(S)S-Alliin	ME1031859	0.97	1.02	1.01
Acoric acid	ME1031805	0.98	1.01	1.01
Docosanoic acid	ME1031882	0.97	1.01	1.02
Methyl gallate	ME1031980	0.97	1.04	0.99
N-Acetyl-L-alanine	ME1032002	0.97	1.04	0.99
N-Acetylaspartic acid	ME1032000	0.97	1.03	1.00
tributyl phosphate	ME1032142	0.97	1.03	1.00
"1-(3,4-dihydroxyphenyl)-2-methyl-1-Propanone"	ME1031892	0.96	1.05	1.00
3-Phenoxypropylene di(acetate)	ME1032193	0.95	1.06	0.99
"(5Z)-11-Oxoprosta-5,9,12,14-tetraene-1-oic acid"	ME1032203	0.93	1.15	0.91
Copalic acid	ME1031847	0.96	1.14	0.90
Phthalic acid	ME1032084	0.98	1.08	0.95
Piperine	ME1032090	0.97	1.08	0.95
Threonic acid	ME1032140	0.97	1.07	0.96
4-Chlorophenoxyacetic acid	ME1032198	0.96	1.08	0.95
"(E,E)-Piperlonguminine"	ME1031815	0.96	1.08	0.96
"4-[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzaldehyde"	ME1032196	0.96	1.07	0.98
Monobutylphthalate	ME1031988	0.96	1.07	0.97
2-Tridecenal	ME1032173	0.94	1.09	0.98
Galactaric acid	ME1031900	0.94	1.07	0.98
Citramalic acid	ME1031845	0.89	1.06	1.05
Stearic acid	ME1032120	0.88	1.07	1.05
p-Cymene	ME1032065	0.91	1.09	1.00
"(13E)-11a-Hydroxy-9,15-dioxoprost-13-enoic acid"	ME1031803	0.90	1.07	1.03
Glutamylglutamine	ME1031910	0.89	1.09	1.02
9-cis-Retinal	ME1032223	0.92	1.11	0.96
Diethyltoluamide	ME1031874	0.90	1.13	0.97
Propylenediamine tetra-acetic acid	ME1032096	0.85	1.14	1.00
Succinamide	ME1032123	0.89	1.12	0.99
Glycerophosphocholine	ME1031913	0.88	1.12	1.00
"PE(18:2(9Z,12Z)/18:2(9Z,12Z))"	ME1032075	0.88	1.11	1.01
Bilirubin	ME1031829	1.35	0.68	0.97
Uridine	ME1032152	1.29	0.69	1.02
7a-Hydroxy-cholestene-3-one	ME1032211	1.30	0.77	0.93
Hippuric acid	ME1031925	1.25	0.78	0.97
(+)-Sabinene	ME1031802	1.26	0.81	0.93
Cortisol	ME1031850	1.22	0.74	1.03
alpha-Hydroxyisobutyric acid	ME1031811	1.19	0.80	1.01
cis-12-Oxophytodienoic acid	ME1031841	1.18	0.77	1.05
N-Acetylglutamine	ME1032001	1.08	0.85	1.07
"N6,N6,N6-Trimethyl-L-lysine"	ME1031997	1.12	0.88	0.99
Tetranor 12-HETE	ME1032138	1.13	0.87	0.99
2-Piperidinone	ME1032169	1.11	0.88	1.01
Pentaethylene glycol	ME1032079	1.12	0.86	1.01
"2-Methoxy-3,4-dimethylphenyl acetate"	ME1032165	1.09	0.90	1.01
Stearidonic acid	ME1032121	1.09	0.91	1.00
Tetraethylene glycol	ME1032135	1.07	0.90	1.03
Triethylene glycol dimethacrylate	ME1032144	1.08	0.90	1.02
"15,16-DiHODE"	ME1032026	1.07	0.88	1.05
Dodecanoylcarnitine	ME1031884	1.05	0.90	1.05
Sphinganine 1-phosphate	ME1032116	1.06	0.90	1.04
PC(P-18:0/18:1(9Z))	ME1032060	1.18	0.90	0.92
"PE(P-18:0/20:4(5Z,8Z,11Z,14Z))"	ME1032076	1.19	0.91	0.91
"PC(O-16:0/20:5(5Z,8Z,11Z,14Z,17Z))"	ME1032056	1.18	0.91	0.92
SM(d18:1/12:0)	ME1032107	1.18	0.91	0.91
LysoPC(18:1(9Z))	ME1031962	1.18	0.91	0.91
PC(O-18:1(9Z)/16:0)	ME1032058	1.18	0.91	0.91
Methyl linoleate	ME1031983	1.18	0.89	0.93
PC(18:0/16:0)	ME1032041	1.19	0.89	0.92
"PC(22:6(4Z,7Z,10Z,13Z,16Z,19Z)/18:0)"	ME1032054	1.19	0.89	0.92
"DG(18:0/18:2(9Z,12Z)/0:0)"	ME1031864	1.20	0.90	0.90
Ganglioside GD3 (d18:1/16:0)	ME1031906	1.21	0.90	0.90
"(9Z,12Z)-6-hydroxyoctadeca-9,12-dienoic acid"	ME1031804	1.22	0.89	0.89
beta-Muricholic Acid	ME1031828	1.22	0.90	0.88
Prostaglandin F1a	ME1032098	1.18	0.84	0.98
(R)-2-Hydroxyhexadecanoic acid	ME1031837	1.18	0.85	0.97
Palmitoleic acid	ME1032027	1.17	0.87	0.96
Trigonelline	ME1032145	1.19	0.87	0.95
PC(16:0/18:0)	ME1032033	1.21	0.85	0.95
SM(d18:1/18:1(9Z))	ME1032110	1.20	0.87	0.92
Prostaglandin H1	ME1032099	1.24	0.85	0.91
LysoPC(18:0)	ME1031961	1.23	0.84	0.93
SM(d18:1/24:1)	ME1032113	1.23	0.85	0.92
"(2E,4Z)-9-Oxo-2,4-octadecadienoic acid"	ME1032170	1.22	0.85	0.93
"9,10-DHOME"	ME1032219	1.22	0.86	0.92
SM(d18:1/18:0)	ME1032109	1.22	0.86	0.92
Didodecyl thiobispropanoate	ME1031869	1.18	0.94	0.88
5-KETE	ME1032208	1.13	0.97	0.90
Chenodeoxycholic acid	ME1031835	1.14	0.97	0.89
LysoPC(14:0/0:0)	ME1031956	1.15	0.97	0.89
Deoxycholic acid	ME1031857	1.14	0.95	0.91
Citrulline	ME1031846	1.14	0.94	0.92
LysoPC(24:0/0:0)	ME1031966	1.14	0.94	0.92
"(15Z)-9,12,13-Trihydroxy-15-octadecenoic acid"	ME1031914	1.13	0.95	0.92
8-oxononanoic acid	ME1032216	1.14	0.95	0.92
"LysoPC(18:2(9Z,12Z)/0:0)"	ME1031963	1.13	0.94	0.93
SM(d18:1/16:0)	ME1032108	1.13	0.94	0.93
Isokobusone	ME1031940	1.13	0.93	0.94
"PC(16:0/20:5(5Z,8Z,11Z,14Z,17Z))"	ME1032036	1.13	0.93	0.94
LysoPC(P-18:0/0:0)	ME1031969	1.12	0.94	0.94
"PC(16:1(9Z)/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	ME1032040	1.12	0.94	0.94
"PC(O-16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	ME1032057	1.12	0.96	0.92
3-Hydroxycholest-5-en-7-one	ME1032185	1.12	0.95	0.93
LysoPC(20:0/0:0)	ME1031964	1.12	0.95	0.93
"PC(P-18:0/20:4(5Z,8Z,11Z,14Z))"	ME1032061	1.17	0.91	0.92
PC(18:1(9Z)/16:0)	ME1032049	1.16	0.91	0.93
PE-NMe2(16:0/16:0)	ME1032078	1.16	0.91	0.93
PC(16:1(9Z)/16:1(9Z))	ME1032039	1.17	0.91	0.93
"PC(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	ME1032046	1.17	0.90	0.93
1-O-Hexadecyl-2-arachidonoyl-sn-glycero-3-phosphocholine	ME1032092	1.16	0.90	0.94
"PC(20:4(5Z,8Z,11Z,14Z)/20:4(5Z,8Z,11Z,14Z))"	ME1032053	1.16	0.90	0.94
"PC(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))"	ME1032052	1.15	0.91	0.94
"PE(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	ME1032077	1.15	0.91	0.94
PC(18:0/18:1(9Z))	ME1032043	1.14	0.92	0.94
alpha-Linolenic acid	ME1031814	1.14	0.92	0.94
DG(16:0/18:1(9Z)/0:0)	ME1031862	1.14	0.92	0.94
PC(16:0/16:0)	ME1032032	1.16	0.93	0.91
PC(14:0/14:0)	ME1032029	1.15	0.92	0.92
"PC(O-16:0/20:3(8Z,11Z,14Z))"	ME1032055	1.15	0.93	0.92
PC(18:0/18:0)	ME1032042	1.15	0.93	0.92
LysoPC(22:0/0:0)	ME1031965	1.15	0.93	0.92
LysoPC(O-18:0/0:0)	ME1031967	1.15	0.93	0.92
"PC(P-18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	ME1032062	1.15	0.92	0.93
LysoPC(17:0/0:0)	ME1031960	1.14	0.93	0.93
Linoelaidic acid	ME1031952	1.15	0.93	0.93
"PC(18:0/20:4(5Z,8Z,11Z,14Z))"	ME1032045	1.15	0.93	0.93
PC(18:1(9Z)/18:1(9Z))	ME1032050	1.10	0.95	0.95
"3alpha,7alpha,12beta-Trihydroxy-5beta-cholanoic acid"	ME1032177	1.10	0.95	0.96
(2-Acetyloxy-3-octadecoxypropyl) 2-(trimethylazaniumyl)ethyl phosphate	ME1032136	1.10	0.94	0.96
PC(16:0/18:1(9Z))	ME1032034	1.10	0.94	0.96
Dodecyl gallate	ME1031885	1.12	0.93	0.95
2-Octenoylcarnitine	ME1032167	1.11	0.93	0.95
"PC(18:2(9Z,12Z)/18:2(9Z,12Z))"	ME1032051	1.11	0.94	0.95
"1,2-Dilauroyl-sn-glycero-3-phosphocholine"	ME1031926	1.11	0.94	0.95
PC(14:0/16:0)	ME1032030	1.11	0.94	0.95
Polygodial	ME1032091	1.09	0.94	0.97
"PC(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z))"	ME1032038	1.09	0.94	0.98
PI(16:0/18:1(9Z))	ME1032085	1.09	0.93	0.98
"PC(18:0/18:2(9Z,12Z))"	ME1032044	1.10	0.93	0.97
12(13)Ep-9-KODE	ME1031981	1.10	0.92	0.98
N-Phenylacetylglutamine	ME1032011	1.10	0.92	0.98
MG(0:0/16:0/0:0)	ME1031986	1.11	0.92	0.97
Sphingosine 1-phosphate	ME1032118	1.11	0.92	0.97
Dodecadienoic acid	ME1031883	1.15	0.89	0.96
Stearamide	ME1032119	1.13	0.90	0.98
Caffeine	ME1031834	1.13	0.91	0.96
LysoPC(P-16:0/0:0)	ME1031968	1.13	0.91	0.96
"9,10-Epoxystearic acid"	ME1032222	1.13	0.92	0.95
"DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)"	ME1031865	1.12	0.92	0.96
Hexaethylene glycol	ME1031922	1.12	0.92	0.96
Isohyodeoxycholic acid	ME1031939	1.36	0.90	0.74
Esculentic acid (Diplazium)	ME1031894	1.23	0.94	0.83
(R)-3-Hydroxy-Octadecanoic acid	ME1031848	1.24	0.90	0.86
"9,10-Epoxyoctadecenoic acid"	ME1032221	1.26	0.85	0.89
"9,10-Epoxy-18-hydroxy-octadecanoic acid"	ME1032220	1.26	0.87	0.87
( )13-HpODE	ME1031881	1.28	0.85	0.87
SM(d18:1/22:0)	ME1032111	1.27	0.86	0.87
7alpha-Hydroxy-3-oxo-4-cholestenoate	ME1032212	1.32	0.86	0.83
Cholic acid	ME1031839	1.33	0.84	0.83
3-oxocholest-4-en-26-oate	ME1032190	1.29	0.86	0.84
LysoPC(15:0/0:0)	ME1031957	1.31	0.85	0.85
SM(d18:1/24:0)	ME1032112	0.69	0.89	1.42
Spermine	ME1032115	0.82	0.93	1.25
"1,3-Dicyclohexylurea"	ME1031948	0.93	0.78	1.29
gamma-Glutamylleucine	ME1031904	0.94	0.82	1.24
Acetaminophen glucuronide	ME1032224	0.06	1.69	1.24
Glycoursodeoxycholic acid	ME1031919	0.64	1.27	1.09
Deoxycholylglycine	ME1031858	0.58	1.25	1.18
Taurochenodesoxycholic acid	ME1032128	0.52	1.25	1.23
Taurocholic acid	ME1032129	0.54	1.22	1.24
Glycodeoxycholic acid	ME1031918	0.47	1.35	1.18
Taurodeoxycholic Acid	ME1032130	0.47	1.24	1.29
Glycocholic acid	ME1031917	0.45	1.31	1.24
Tauroursodeoxycholic acid	ME1032131	0.42	1.29	1.30
Imidazoleacetic acid	ME1031929	0.38	1.08	1.54
Homovanillic acid sulfate	ME1031927	0.01	1.19	1.80
Paracetamol sulfate	ME1032028	0.15	1.30	1.55

Factors:

F1	Time:0
F2	Time:120
F3	Time:60

Data matrix