Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST003028)

Reversed phase POSITIVE ION MODE (Analysis AN004965)

Metabolite	Structure	F1	F2
3-Hydroxyhippuric Acid	ME781268	0.76	1.24
Syringic Acid	ME781155	0.76	1.24
Chlorogenic Acid	ME781230	0.75	1.25
P-Aminohippuric Acid	ME781245	0.75	1.25
Xanthurenic Acid	ME781286	0.78	1.22
L-Alanyl-L-Lysine	ME781152	0.78	1.22
Nicotinuric Acid	ME781217	0.78	1.22
5-Methyluridine	ME781180	0.80	1.20
N-Alpha-Acetyl-L-Asparagine	ME781454	0.79	1.21
Thymidine	ME781195	0.79	1.21
Spermidine	ME781340	0.87	1.13
Pterine	ME781335	0.87	1.13
Glycine	ME781102	0.87	1.13
Gluconic Acid	ME781209	0.87	1.13
Betaine	ME781125	0.87	1.13
Adenine	ME781183	0.87	1.13
1,5-Diaminopentane	ME781165	0.87	1.13
2-Methylbutyroylcarnitine	ME781346	0.87	1.13
TranexamicAcid	ME781375	0.88	1.12
L-Methionine Sulfoximine	ME781458	0.88	1.12
Petroselinic Acid	ME781464	0.88	1.12
2-(Methylthio)benzothiazole	ME781422	0.85	1.15
5-Methylcytosine	ME781179	0.85	1.15
Pyridoxine 5^-Phosphate	ME781274	0.86	1.14
Oleate	ME781466	0.86	1.14
N-Acetylmannosamine	ME781142	0.86	1.14
Methionine Sulfoxide	ME781137	0.86	1.14
L-Cystine	ME781103	0.86	1.14
Dl-2-Aminooctanoic Acid	ME781233	0.86	1.14
Diethanolamine	ME781167	0.86	1.14
(5-L-Glutamyl)-L-Amino Acid	ME781116	0.86	1.14
Asp-Phe methyl ester	ME781334	0.86	1.14
Ethylbenzene	ME781353	0.81	1.19
1,4-Dihydro-1-Methyl-4-Oxo-3-Pyridinecarboxamide	ME781159	0.82	1.18
L-Citrulline	ME781108	0.82	1.18
Oleamide	ME781329	0.83	1.17
Pipecolinic Acid	ME781260	0.84	1.16
L-Ornithine	ME781106	0.84	1.16
2^-Deoxyinosine	ME781175	0.84	1.16
L-Cystathionine	ME781129	0.84	1.16
Deoxycorticosterone Acetate	ME781467	0.51	1.49
1-HYDROXYANTHRAQUINONE	ME781418	0.62	1.38
4-Oxoretinol	ME781215	0.67	1.33
Methyl Benzoate	ME781156	0.67	1.33
Hippuric Acid	ME781237	0.66	1.34
Pyridoxine	ME781212	0.66	1.34
Deoxycytidine	ME781279	0.70	1.30
Hexadecanamide	ME781312	0.71	1.29
1-Phenylethanol	ME781437	1.25	0.75
5-Hydroxytryptophol	ME781221	1.25	0.75
10-UNDECENOIC ACID	ME781412	1.19	0.81
4-Guanidinobutyric Acid	ME781226	1.19	0.81
Undecanal	ME781413	1.18	0.82
alantolactone	ME781325	1.18	0.82
Isoquinoline	ME781299	1.18	0.82
Β-Nicotinamide Mononucleotide	ME781197	1.23	0.77
10-Formyl-Thf	ME781296	1.23	0.77
All-Trans-13,14-Dihydroretinol	ME781216	1.23	0.77
Phosphocholine	ME781455	1.22	0.78
Acetylcholine Chloride	ME781163	1.22	0.78
O-Succinyl-L-Homoserine	ME781451	1.22	0.78
N-METHYL (-)EPHEDRINE	ME781324	1.21	0.79
2-Acetyl-5-methylfuran	ME781373	1.21	0.79
L-Thyroxine	ME781199	1.21	0.79
Naproxen	ME781382	1.20	0.80
Ritalinic acid	ME781338	1.20	0.80
2-Methyl-5-nitroimidazole-1-ethanol	ME781403	1.35	0.65
L-Homocystine	ME781134	1.34	0.66
N-Glycyl-L-Leucine	ME781144	1.29	0.71
3,3^,5-Triiodo-L-Thyronine	ME781198	1.29	0.71
glycylphenylalanine	ME781442	1.29	0.71
Methyl Nicotinate	ME781258	1.31	0.69
P-Coumaraldehyde	ME781154	1.32	0.68
Subericacid	ME781247	1.07	0.93
Phosphoric Acid	ME781285	1.07	0.93
Linalyl oxide	ME781421	1.07	0.93
L-Homocitrulline	ME781133	1.07	0.93
Isoamyl butyrate	ME781357	1.07	0.93
Glutathione Reducedform	ME781127	1.07	0.93
Farnesol	ME781397	1.07	0.93
cis-Citral	ME781387	1.07	0.93
Acetyl-L-carnitine	ME781310	1.07	0.93
6-Methylnicotinamide	ME781428	1.07	0.93
5-METHYLFURFURAL	ME781423	1.07	0.93
5-amino-1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide	ME781330	1.07	0.93
3-Aminoisobutanoic Acid	ME781280	1.07	0.93
2,6-Dimethylpyridine	ME781365	1.07	0.93
2-Aminoethanesulfinic Acid	ME781225	1.07	0.93
Β-Pseudouridine	ME781271	1.06	0.94
Sebacate	ME781246	1.06	0.94
Purine	ME781193	1.06	0.94
N-Acetylaspartate	ME781140	1.06	0.94
L-Tryptophanamide	ME781461	1.06	0.94
Isonicotinic acid	ME781347	1.06	0.94
Guanine	ME781278	1.06	0.94
D-Mannitol	ME781206	1.06	0.94
FURFURYL ALCOHOL	ME781436	1.06	0.94
Urea	ME781151	1.08	0.92
Maltose	ME781207	1.08	0.92
L-Tryptophan	ME781114	1.08	0.92
Glycerophosphatidylcholine	ME781449	1.08	0.92
Dl-Threitol	ME781205	1.08	0.92
Creatinine	ME781231	1.08	0.92
3-Methyladenine	ME781463	1.08	0.92
2-Hydroxy-6-Aminopurine	ME781176	1.08	0.92
1,2-Dichloroethane	ME781361	1.08	0.92
2-Acetylfuran	ME781372	1.08	0.92
Pyrimidinefreebase	ME781194	1.09	0.91
Punicic Acid	ME781288	1.09	0.91
Methoxyindoleacetic Acid	ME781294	1.09	0.91
MESITYL OXIDE	ME781420	1.09	0.91
Lysopc 17:0	ME781291	1.09	0.91
L-phenylalanyl-L-proline	ME781350	1.09	0.91
Kynurenic Acid	ME781240	1.09	0.91
Hexyl?Acetate	ME781396	1.09	0.91
gamma-Muurolene	ME781333	1.09	0.91
3-Hydroxy-4,5-dimethyl-2(5H)-furanone	ME781386	1.09	0.91
DL-Stachydrine	ME781314	1.09	0.91
δ-Valerolactam	ME781323	1.10	0.90
trans-3-Indoleacrylic acid	ME781309	1.10	0.90
Thiamine	ME781313	1.10	0.90
Riboflavin	ME781218	1.10	0.90
m-Cresol	ME781364	1.10	0.90
L-Ascorbate	ME781211	1.10	0.90
Cytosine	ME781187	1.10	0.90
Cyclohexanone	ME781367	1.10	0.90
6-Hydroxynicotinic Acid	ME781162	1.10	0.90
1-Methylhistidine	ME781172	1.10	0.90
2,6-Di-tert-butyl-4-methylphenol	ME781378	1.10	0.90
N-Alpha-acetyllysine	ME781337	1.11	0.89
Lysopc 16:1	ME781252	1.11	0.89
L- tyrosine methyl ester	ME781362	1.11	0.89
7,8-dihydro-L-Biopterin	ME781322	1.11	0.89
3-Methylthiophene	ME781391	1.11	0.89
3-N-Methyl-L-Histidine	ME781120	1.11	0.89
Urocanic Acid	ME781259	1.12	0.88
N6-Acetyl-L-Lysine	ME781139	1.12	0.88
Barbituric acid	ME781392	1.12	0.88
5^-Deoxy-5^-(Methylthio) Adenosine	ME781277	1.12	0.88
2-Picolinic Acid	ME781160	1.12	0.88
3-Hydroxy-3-Methylpentane-1,5-Dioic Acid	ME781119	1.12	0.88
S-Adenosyl-L-Methionine	ME781148	1.13	0.87
Glycyrrhetinic acid	ME781404	1.13	0.87
PROPYL HEXANOATE	ME781425	1.13	0.87
Sn-Glycero-3-Phosphocholine	ME781295	1.16	0.84
Cyclic Amp	ME781266	1.16	0.84
1-DECANOL	ME781411	1.16	0.84
11-Cis-Retinol	ME781281	1.16	0.84
1-Aminopropan-2-ol	ME781429	1.16	0.84
p-Menth-1-en-4-ol	ME781407	1.17	0.83
Naphthalene	ME781434	1.17	0.83
2-Undecanone	ME781410	1.17	0.83
METHYL VALERATE	ME781424	1.17	0.83
Trimethylamine N-Oxide	ME781150	1.15	0.85
N-Acetyl-5-Hydroxytryptamine	ME781204	1.15	0.85
Glutathione Oxidized	ME781126	1.15	0.85
Ethyl?Heptanoate	ME781358	1.15	0.85
D-Homocysteine	ME781101	1.15	0.85
Ergothioneine	ME781293	1.15	0.85
(-)-Menthone	ME781419	1.14	0.86
LysoPE(16:1(9Z)/0:0)	ME781351	1.14	0.86
Lysopc 15:0	ME781304	1.14	0.86
Lysopc 14:0	ME781250	1.14	0.86
(E)-2-Octen-1-ol	ME781380	1.14	0.86
Kinurenine	ME781239	1.14	0.86
N-Nitrosodiethylamine	ME781389	0.95	1.05
L-Histidine	ME781109	0.95	1.05
Homovanillic Acid	ME781238	0.95	1.05
Epiandrosterone	ME781328	0.95	1.05
D-Pipecolinic Acid	ME781235	0.95	1.05
DIISOBUTYL PHTHALATE	ME781431	0.95	1.05
Diethyl malonate	ME781408	0.95	1.05
Atrazine	ME781381	0.95	1.05
2-(3,4-dimethoxyphenyl)ethanamine	ME781343	0.95	1.05
2-(Dimethylamino)Guanosine	ME781269	0.95	1.05
Putrescine	ME781166	0.93	1.07
N^-Formylkynurenine	ME781244	0.93	1.07
Maleic Acid	ME781243	0.93	1.07
Cysteamine	ME781117	0.93	1.07
Biotin	ME781170	0.93	1.07
5-Oxoproline	ME781122	0.93	1.07
1-Methyladenine	ME781171	0.93	1.07
2,4-Dihydroxypteridine	ME781457	0.93	1.07
Vitamin E	ME781446	0.94	1.06
Phenylacetyl-L-Glutamine	ME781147	0.94	1.06
L-Sepiapterin	ME781272	0.94	1.06
L-Pipecolic Acid	ME781276	0.94	1.06
Cytidine 5^-Diphosphocholine	ME781452	0.94	1.06
Cholesterol	ME781287	0.94	1.06
beta-Cubebene	ME781349	0.94	1.06
Asp-Phe	ME781123	0.94	1.06
Adenosine	ME781184	0.94	1.06
2-Pentyl-3-phenyl-2-propenal	ME781414	0.94	1.06
3-(2-Hydroxyphenyl)propionic acid	ME781327	0.94	1.06
proline betaine	ME781444	0.91	1.09
N-Acetylglycine	ME781265	0.91	1.09
Butylamine	ME781369	0.91	1.09
L-Homoserine	ME781242	0.91	1.09
Thymine	ME781196	0.92	1.08
Pyridoxal	ME781462	0.92	1.08
PAF C-16	ME781321	0.92	1.08
Methyl?beta-D-galactopyranoside	ME781379	0.92	1.08
Dibutyl phthalate	ME781432	0.92	1.08
L-Cysteine	ME781130	0.92	1.08
3^-Aenylic Acid	ME781177	0.90	1.10
8-Hydroxyguanosine	ME781182	0.90	1.10
Metanephrine	ME781200	0.89	1.11
4-(Aminomethyl)-5-(Hydroxymethyl)-2-Methylpyridin-3-Ol	ME781263	0.89	1.11
Acetaminophen Glucuronide	ME781264	0.89	1.11
Triethylamine	ME781376	1.03	0.97
Phthalic Acid	ME781158	1.03	0.97
P-Aminobenzoate	ME781297	1.03	0.97
Norepinephrine	ME781201	1.03	0.97
N-Acetylputrescine	ME781143	1.03	0.97
Lysopc 20:2	ME781257	1.03	0.97
Lysopc 20:1	ME781256	1.03	0.97
Lysopc 18:2	ME781255	1.03	0.97
L-Saccharopine	ME781135	1.03	0.97
Hordenine	ME781290	1.03	0.97
H-Homoarg-Oh	ME781273	1.03	0.97
Dodecanedioic Aicd	ME781234	1.03	0.97
Cytidine-5-Monophosphate	ME781186	1.03	0.97
alpha-Terpinene	ME781400	1.03	0.97
6-Methylmercaptopurine	ME781292	1.03	0.97
5-Hydroxy-L-Tryptophan	ME781121	1.03	0.97
3-(Methylthio)-1-propanol	ME781406	1.03	0.97
(3,4-Dimethoxyphenyl) Acetic Acid	ME781157	1.03	0.97
15-deoxy-δ-12,14-PGJ2	ME781319	1.03	0.97
1-PENTADECANOL	ME781426	1.03	0.97
Uric Acid	ME781249	1.02	0.98
Thiamine Monophosphate	ME781456	1.02	0.98
o-Xylene	ME781394	1.02	0.98
Nα-Acetyl-L-glutamine	ME781438	1.02	0.98
Lysope 18:2 (2N Isomer)	ME781305	1.02	0.98
Lysopc 18:1	ME781254	1.02	0.98
Lysopc 16:0	ME781251	1.02	0.98
L-Lysine	ME781105	1.02	0.98
DL-Leucine	ME781402	1.02	0.98
D-2-Aminobutyric Acid	ME781232	1.02	0.98
7-Methylguanine	ME781270	1.02	0.98
6-Phosphogluconic Acid Trisodium Salt	ME781284	1.02	0.98
5,6-Dihydro-5-Methyluracil	ME781178	1.02	0.98
2,2,2-Trichloroethanol	ME781370	1.02	0.98
2,6-Diaminooimelic Acid	ME781224	1.02	0.98
Taurocholic Acid Sodium Salt Hydrate	ME781262	1.04	0.96
Stearidonic Acid	ME781336	1.04	0.96
Phenethylamine	ME781168	1.04	0.96
Nicotinamide	ME781214	1.04	0.96
N-Acetyl-L-alanine	ME781317	1.04	0.96
m-Xylene	ME781363	1.04	0.96
Indole-3-Acetic Acid	ME781222	1.04	0.96
Indole	ME781298	1.04	0.96
Guanosine	ME781189	1.04	0.96
Cuminaldehyde	ME781342	1.04	0.96
Cinnamic Acid	ME781248	1.04	0.96
1,4-Xylene	ME781360	1.04	0.96
3-(Methylthio)propionaldehyde	ME781401	1.04	0.96
p-Mentha-1,3,8-triene	ME781339	1.05	0.95
Nα-Acetyl-L-Arginine	ME781146	1.05	0.95
N6-Succinyl Adenosine	ME781267	1.05	0.95
Methyl cinnamate	ME781355	1.05	0.95
L-Norleucine	ME781315	1.05	0.95
L-Dopa	ME781131	1.05	0.95
DL-Carnitine	ME781316	1.05	0.95
Dimethyl fumarate	ME781348	1.05	0.95
2,6-Dimethylpyrazine	ME781366	1.05	0.95
Butyl 3-methylbutanoate	ME781368	1.05	0.95
Vitamin D3	ME781210	0.98	1.02
tryptophan betaine	ME781450	0.98	1.02
Triethyl phosphate	ME781320	0.98	1.02
Serotonin	ME781149	0.98	1.02
N,N-Dimethylglycine	ME781138	0.98	1.02
N-Methyl-L-Glutamate	ME781453	0.98	1.02
N-Acetylhistamine	ME781153	0.98	1.02
N-Acetylcysteine	ME781141	0.98	1.02
L-Proline	ME781112	0.98	1.02
L-Carnitine	ME781202	0.98	1.02
L-Alanine	ME781107	0.98	1.02
Cytidine	ME781185	0.98	1.02
Cys-Gly	ME781282	0.98	1.02
Choline	ME781164	0.98	1.02
Bisphenol propane	ME781445	0.98	1.02
9-Fluorenone	ME781405	0.98	1.02
7-Methylxanthine	ME781181	0.98	1.02
2,4,6-Trimethylphenol	ME781398	0.98	1.02
3-Chloro-L-Tyrosine	ME781118	0.98	1.02
Trans-Citridic Acid	ME781283	0.96	1.04
Orotic Acid	ME781213	0.96	1.04
N-methylalanine	ME781447	0.96	1.04
N-Hydroxy Tryptamine	ME781303	0.96	1.04
Methylisobutyrate	ME781388	0.96	1.04
Methylcysteine	ME781371	0.96	1.04
L-Glutamic acid	ME781443	0.96	1.04
Isobutyryl carnitine	ME781331	0.96	1.04
Hexadecanol	ME781465	0.96	1.04
Deoxyguanosine	ME781188	0.96	1.04
alpha-Cadinene	ME781332	0.96	1.04
2-Hydroxycinnamic acid	ME781307	0.96	1.04
1,3-diisopropylbenzene	ME781395	0.96	1.04
2^-Deoxyadenosine-5^-Monophosphate	ME781174	0.96	1.04
Terpinolene	ME781399	0.97	1.03
PYRROLIDINE	ME781416	0.97	1.03
N-Methyl-a-aminoisobutyric acid	ME781345	0.97	1.03
Melatonin	ME781203	0.97	1.03
L-Valine	ME781115	0.97	1.03
L-Tyrosine	ME781104	0.97	1.03
L-Theanine	ME781136	0.97	1.03
L-Pyroglutamic Acid	ME781113	0.97	1.03
Jasmonic acid	ME781311	0.97	1.03
Gamma-Caprolactone	ME781427	0.97	1.03
Ethyl butyrate	ME781409	0.97	1.03
DL-o-Tyrosine	ME781308	0.97	1.03
Benzylcinnamate	ME781356	0.97	1.03
Anatabine	ME781344	0.97	1.03
3-Methylsalicylic acid	ME781430	0.97	1.03
3-Hydroxy-DL-kynurenine	ME781352	0.97	1.03
2-Aminoadipic Acid	ME781289	0.97	1.03
1-(4-Methoxyphenyl)-2-propanone	ME781341	0.97	1.03
1-Methylxanthine	ME781173	0.97	1.03
Octadecanamide	ME781377	1.01	0.99
Methyl dihydrojasmonate	ME781384	1.01	0.99
L-Phenylalanine	ME781111	1.01	0.99
L-Glutamine	ME781132	1.01	0.99
Indole-3-acetamide	ME781318	1.01	0.99
Guanidineacetic Acid	ME781236	1.01	0.99
D-Glucono-1,5-Lactone	ME781208	1.01	0.99
caprate (10:0)	ME781440	1.01	0.99
Beta-Alanine	ME781124	1.01	0.99
Benzophenone	ME781374	1.01	0.99
7-Methyluric Acid	ME781229	1.01	0.99
4-aminophenol	ME781415	1.01	0.99
5-Aminovaleric Acid	ME781227	1.01	0.99
Trigonelline	ME781219	0.99	1.01
sphinganine	ME781448	0.99	1.01
Pyrene	ME781417	0.99	1.01
Pulegone	ME781433	0.99	1.01
N-Propionylglycine	ME781145	0.99	1.01
Nicotinic Acid Adenine Dinucleotide	ME781192	0.99	1.01
Lysopc 18:3	ME781306	0.99	1.01
Lumichrome	ME781460	0.99	1.01
L-Methionine	ME781110	0.99	1.01
ETHYL ISOBUTYRATE	ME781435	0.99	1.01
Ethyl dodecanoate	ME781359	0.99	1.01
Choline chloride	ME781439	0.99	1.01
Androsterone	ME781326	0.99	1.01
4-Hydroxybenzaldehyde	ME781261	0.99	1.01
2-Pentadecanone	ME781383	0.99	1.01
2^-Deoxycytidine 5^-Diphosphate	ME781459	0.99	1.01
1,3-Diaminopropane	ME781223	0.99	1.01
2,4-Dichlorophenoxyacetic acid	ME781393	0.99	1.01
Piperidine	ME781300	1.00	1.00
Lysopc 18:0	ME781253	1.00	1.00
L-2-Aminobutyric Acid	ME781241	1.00	1.00
Isobutyl decanoate	ME781441	1.00	1.00
Histamine	ME781128	1.00	1.00
Hexyl butyrate	ME781385	1.00	1.00
Guanosine Monophosphate	ME781191	1.00	1.00
Diphenyl ether	ME781354	1.00	1.00
6-Aminocaproic Acid	ME781228	1.00	1.00
5-Hydroxyindole-3-Acetic Acid	ME781220	1.00	1.00
5-Aminolevulinate	ME781301	1.00	1.00
4-Pyridoxic Acid	ME781161	1.00	1.00
2-Methylguanosine	ME781302	1.00	1.00
3,5-Dinitrosalicylic acid	ME781390	1.00	1.00
Guanosine 3^,5^-Cyclic Monophosphate	ME781190	2.00	0.00
4-Hydroxyretinoic Acid	ME781275	1.67	0.33
Protocatechuic Acid	ME781169	1.51	0.49

Factors:

F1	Treatment:AOM/DSS
F2	Treatment:AOM/DSS and chronic restraint stress

Data matrix