Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST000756)

(Analysis AN001186)

Metabolite	Structure	F1	F2	F3	F4
3-HYDROXYBENZALDEHYDE (CAS# 100-83-4); (M-H)-	ME209248	2.33	0.60	0.96	NA
CIS-ZEATIN (CAS# 1637-39-4); (M-H)-	ME209310	0.84	1.15	1.02	NA
3-HYDROXYPHENYLACETATE (CAS# 621-37-4); (M-H)-	ME209250	0.84	1.28	0.89	NA
20:0 LYSO PC (CAS# 108341-80-6); (M+HCOO)-	ME209244	0.97	1.03	0.99	NA
CATECHOL (CAS# 120-80-9); (M-H)-	ME209300	0.66	1.35	1.11	NA
ALLANTOIN (CAS# 97-59-6); (M-H)-	ME209282	1.34	0.35	0.88	NA
ALPHA-KETO-GLUTARATE (CAS# 328-50-7); (M-H)-	ME209285	1.19	0.78	1.05	NA
GLUCARIC ACID (CAS# 87-73-0); (M-H)+[-H2O]	ME209360	0.37	1.16	1.47	NA
D-LYXOSE (CAS# 1114-34-7); (M-H)-	ME209322	0.87	1.14	0.99	NA
DEOXYCHOLIC ACID (CAS# 83-44-3); (M+CL)-	ME209332	0.17	0.19	1.55	NA
CIS-VACCENIC ACID (CAS# 506-17-2); (M-H)-	ME209308	0.57	1.20	1.23	NA
BENZALDEHYDE (CAS# 100-52-7); (M+HCOO)-	ME209291	NA	0.82	1.53	NA
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-	ME209230	1.04	0.97	0.99	NA
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-	ME209266	0.63	1.20	1.17	NA
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-	ME209269	0.83	1.34	0.82	NA
CIS-ACONITATE (CAS# 585-84-2); (M-H)-	ME209307	0.63	1.13	1.11	NA
GLUCOSE (CAS# 50-99-7); (M+CL)-	ME209365	0.95	0.90	1.15	NA
D-TAGATOSE (CAS# 87-81-0); (M+CL)-	ME209325	0.95	0.90	1.15	NA
DIACETYL (CAS# 431-03-8); (M+HCOO)-	ME209340	0.99	0.86	1.14	NA
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-	ME209231	1.00	1.05	0.95	NA
CIS-ZEATIN (CAS# 1637-39-4); (M+CL)-	ME209309	0.84	1.11	1.05	NA
FRUCTOSE (CAS# 57-48-7); (M+HCOO)-	ME209351	0.41	1.70	0.89	NA
DOCOSAHEXAENOIC ACID (CAS# 6217-54-5 ); (M-H)-	ME209341	0.65	0.86	1.49	NA
DEOXYURIDINE (CAS# 951-78-0); (M+CL)-	ME209336	0.65	1.54	0.99	NA
BIOTIN (CAS# 58-85-5); (M-H)-	ME209297	0.52	0.83	2.62	NA
ARACHIDONATE (CAS# 506-32-1); (M-H)-	ME209288	0.83	0.99	1.18	NA
ACETOACETATE (CAS# 541-50-4); (M-H)-	ME209278	0.82	1.04	1.14	NA
ALPHA-HYDROXYISOBUTYRIC ACID (CAS# 594-61-6); (M-H)-	ME209284	0.39	1.16	1.68	NA
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M+CL)-	ME209358	0.81	1.16	1.02	NA
D-ORNITHINE (CAS# 348-66-3); (M-H)-	ME209323	1.28	0.61	1.21	NA
DEOXYCHOLIC ACID (CAS# 83-44-3); (M-H)-	ME209333	0.25	0.33	2.16	NA
AZELAIC ACID (CAS# 123-99-9); (M-H)-	ME209289	0.34	2.69	0.53	NA
DEHYDROASCORBATE (CAS# 490-83-5); (M-H)-	ME209329	0.46	1.07	1.28	NA
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)-	ME209246	0.66	1.50	0.84	NA
D-LYXOSE (CAS# 1114-34-7); (M+CL)-	ME209320	1.26	NA	0.74	NA
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-	ME209253	0.56	0.83	1.61	NA
DEOXYURIDINE (CAS# 951-78-0); (M+HCOO)-	ME209337	0.85	1.44	NA	NA
GAMMA-BUTYROLACTONE (CAS# 96-48-0); (M+HCOO)-	ME209355	0.99	0.87	1.14	NA
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-	ME209277	0.82	1.04	1.15	NA
GALACTURONIC ACID (CAS# 91510-62-2); (M-H)-	ME209354	1.04	0.96	NA	NA
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M-H)-	ME209238	0.31	NA	1.69	NA
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (M-H)-	ME209359	0.78	1.20	1.02	NA
D-(-)-ARABINOSE (CAS# 10323-20-3); (M+HCOO)-	ME209319	1.27	0.53	1.19	NA
5-VALEROLACTONE (CAS# 542-28-9); (M+HCOO)-	ME209276	0.17	1.26	1.85	NA
CITRULLINE (CAS# 372-75-8); (M-H)-	ME209313	1.18	0.57	1.25	NA
DEHYDROASCORBATE (CAS# 490-83-5); (M+CL)-	ME209327	3.41	NA	0.20	NA
1-METHYLURIC ACID (CAS# 708-79-2); (M-H)-	ME209226	0.38	NA	1.62	NA
CHOLATE (CAS# 81-25-4); (M-H)-	ME209304	0.33	0.86	1.81	NA
2-HYDROXYBUTYRATE (CAS# ); (M-H)-	ME209239	0.39	1.16	1.68	NA
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-	ME209225	0.25	NA	1.75	NA
DEOXYADENOSINE (CAS# 16373-93-6); (M+CL)-	ME209330	0.57	0.81	1.48	NA
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)-	ME209247	0.27	0.63	1.86	NA
4-NITROCATECHOL (CAS# 3316-09-4); (M-H)-	ME209267	1.23	NA	0.89	NA
DEOXYURIDINE (CAS# 951-78-0); (M-H)-	ME209338	0.90	1.40	0.54	NA
CITRATE (CAS# 77-92-9); (M-H)-	ME209312	0.50	1.26	1.23	NA
4-HYDROXYPHENYLACETATE (CAS# 156-38-7); (M-H)-	ME209264	0.46	0.93	1.74	NA
3-(2-HYDROXYPHENYL)PROPANOATE (CAS# 495-78-3); (M-H)-	ME209245	1.11	1.23	0.72	NA
11-DEOXYCORTISOL (CAS# 152-58-9); (M+HCOO)-	ME209229	0.54	1.44	1.02	NA
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)-	ME209236	1.85	0.15	NA	NA
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-	ME209272	0.65	1.11	1.49	NA
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-	ME209286	0.83	0.89	1.36	NA
16:0-18:0 PC (CAS# 59403-51-9); (M+CL)-	ME209232	0.65	1.18	1.17	NA
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-	ME209263	0.90	0.52	1.58	NA
4-HYDROXYBENZALDEHYDE (CAS# 123-08-0); (M-H)-	ME209262	2.31	0.61	0.95	NA
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-	ME209254	0.83	1.04	1.13	NA
3-NITRO-L-TYROSINE (CAS# 621-44-3); (M-H)-	ME209255	0.10	1.90	NA	NA
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+CL)-	ME209345	0.78	1.18	1.04	NA
ELAIDIC ACID (CAS# 112-79-8); (M-H)-	ME209344	0.57	1.20	1.23	NA
DGMP (CAS# 902-04-5); (M-H)-	ME209339	NA	1.03	0.90	NA
CORTICOSTERONE (CAS# 50-22-6); (M+HCOO)-	ME209315	0.54	1.44	1.02	NA
C12 GALACTOSYL(BETA) CERAMIDE (D18:1/12:0) (CAS# 41613-14-3); (M+CL)-	ME209299	0.89	1.06	1.16	NA
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+CL)-[-H2O]	ME209257	1.28	NA	0.72	NA
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-	ME209265	0.63	1.20	1.17	NA
GLUCARIC ACID (CAS# 87-73-0); (M-H)-	ME209361	NA	0.82	1.06	NA
EPIBRASSINOLIDE [ISTD] (CAS# 78821-43-9); (M+HCOO)-	ME209346	0.80	1.17	1.02	NA
CHOLATE (CAS# 81-25-4); (2M-H)-	ME209302	0.05	0.39	2.56	NA
BOC-LYS-OH (CAS# 13734-28-6); (M-H)-	ME209298	0.60	1.40	NA	NA
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-	ME209271	0.57	1.27	1.47	NA
ADENOSINE 5^-PHOSPHOSULFATE (CAS# 485-84-7); (M-H)-	ME209280	0.35	1.45	0.66	NA
FRUCTOSE (CAS# 57-48-7); (M+CL)-	ME209350	0.95	0.90	1.15	NA
ERUCIC ACID (CAS# 112-86-7); (M-H)-	ME209347	1.03	0.98	1.00	NA
3-HYDROXYPYRUVIC ACID (CAS# 1113-60-6); (M-H)-	ME209251	1.24	0.63	1.01	NA
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-	ME209233	0.78	0.89	1.32	NA
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-	ME209240	0.55	0.83	1.61	NA
DEOXYCHOLIC ACID (CAS# 83-44-3); (2M-H)-	ME209331	0.06	0.11	1.91	NA
BENZOATE (CAS# 65-85-0); (M-H)-	ME209292	2.35	0.60	0.95	NA
CITRAMALATE (CAS# 2306-22-1); (M-H)-	ME209311	0.64	0.96	1.40	NA
GLUCURONIC ACID (CAS# 6556-12-3); (M-H)-	ME209367	1.19	0.81	NA	NA
DEOXYCYTIDINE (CAS# 951-77-9); (M+CL)-	ME209334	1.19	1.09	0.58	NA
4-COUMARATE (CAS# 501-98-4); (M-H)-	ME209260	0.86	0.79	1.35	NA
CHOLATE (CAS# 81-25-4); (M+CL)-	ME209303	0.17	0.56	2.27	NA
GALACTARATE (CAS# 526-99-8); (M-H)-	ME209353	NA	0.82	1.06	NA
FUMARATE (CAS# 110-17-8); (M-H)-	ME209352	1.02	0.71	1.41	NA
ETHANOLAMINE PHOSPHATE (CAS# 1071-23-4); (M-H)-	ME209348	NA	1.05	0.95	NA
EDTA (CAS# 60-00-4); (M-H)-	ME209343	0.41	1.69	0.26	NA
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-	ME209279	NA	1.30	0.55	NA
3-HYDROXYBENZOATE (CAS# 99-06-9); (M-H)-	ME209249	0.88	0.95	1.25	NA
11-DEOXYCORTISOL (CAS# 152-58-9); (M+CL)-	ME209228	0.59	1.31	1.10	NA
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)-	ME209237	0.16	0.39	2.44	NA
GAMMA-LINOLENIC ACID (CAS# 506-26-3); (M+HCOO)-	ME209356	0.83	0.89	1.36	NA
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-	ME209270	0.61	1.33	1.10	NA
2-METHYLMALEATE (CAS# 498-23-7); (M-H)-	ME209241	0.95	1.50	0.55	NA
4-NITROPHENOL (CAS# 100-02-7); (M-H)-	ME209268	1.02	0.51	1.48	NA
GIBBERELLIC ACID [ISTD] (CAS# 77-06-5); (2M-H)-	ME209357	0.53	1.56	0.91	NA
D-PSICOSE (CAS# 551-68-8); (M+CL)-	ME209324	0.95	0.90	1.16	NA
DEOXYCYTIDINE (CAS# 951-77-9); (M+HCOO)-	ME209335	1.27	NA	0.46	NA
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 492-27-3); (M-H)-	ME209261	0.76	1.24	NA	NA
CYCLOHEPTANECARBOXYLIC ACID (CAS# 1460-16-8); (M+HCOO)-	ME209316	0.34	2.69	0.53	NA
ETHYLMALONIC ACID (CAS# 601-75-2); (M-H)-	ME209349	1.59	0.76	0.47	NA
CORTICOSTERONE (CAS# 50-22-6); (M+CL)-	ME209314	0.59	1.31	1.10	NA
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]	ME209283	0.31	0.62	1.83	NA
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)-	ME209273	0.48	1.65	0.87	NA
2-OXOADIPATE (CAS# 3184-35-8); (M-H)-	ME209242	1.36	0.64	NA	NA
3-METHOXYTYROSINE (CAS# 4214-13-5); (M-H)-	ME209252	0.57	1.22	NA	NA
GLUCONIC ACID (CAS# 526-95-4); (M-H)-	ME209362	1.27	0.53	1.19	NA
D-LYXOSE (CAS# 1114-34-7); (M+HCOO)-	ME209321	1.14	0.65	1.09	NA
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-	ME209281	0.56	0.83	1.61	NA
CIS-11-EICOSENOIC ACID (CAS# 5561-99-9); (M-H)-	ME209306	0.62	0.87	1.51	NA

Factors:

F1	Days post-STZ:-
F2	Days post-STZ:3
F3	Days post-STZ:30
F4	Days post-STZ:POOLED

Data matrix