Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Differences in bile acids composition between ASCL5 knockout and floxed mice. (Study ST000694)

Reversed phase NEGATIVE ION MODE (Analysis AN001073)

Metabolite	Structure	F1	F2	F3	F4	F5	F6	F7	F8
2-HYDROXY-3-METHYLBUTYRIC ACID (CAS# 4026-18-0); (M-H)-	ME194714	0.70	0.56	1.12	NA	0.63	1.83	1.12	NA
3-(4-HYDROXYPHENYL)LACTATE (CAS# 6482-98-0); (M-H)-	ME194722	0.47	0.76	0.61	NA	0.37	1.96	0.93	NA
ADENOSINE 5^-MONOPHOSPHATE (CAS# 61-19-8); (M-H)-	ME194761	0.61	1.35	0.77	NA	0.99	0.35	1.16	NA
4-HYDROXY-2-QUINOLINECARBOXYLIC ACID-KRYNURENIC ACID (CAS# 492-27-3); (M-H)-	ME194737	0.39	0.66	0.83	NA	0.31	1.90	1.14	NA
ADENOSINE (CAS# 58-61-7); (M+HCOO)-	ME194760	0.12	0.89	1.39	NA	0.33	1.07	0.91	NA
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+CL)-	ME194747	0.72	0.72	1.46	NA	0.76	0.52	1.47	NA
4-METHYL-2-OXOPENTANOATE (CAS# 816-66-0); (M-H)-	ME194740	0.85	0.48	1.19	NA	0.82	1.13	1.27	NA
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+HCOO)-	ME194713	1.20	0.07	1.05	NA	0.46	1.36	NA	NA
4-COUMARATE (CAS# 501-98-4); (M-H)-	ME194736	1.35	1.17	0.99	NA	0.53	1.08	0.85	NA
2^-DEOXYINOSINE (CAS# 890-38-0); (M-H)-	ME194711	NA	0.97	1.15	NA	NA	0.83	1.24	NA
5-OXOPROLINE (CAS# 4042-36-8); (M-H)-	ME194755	0.99	0.97	1.17	NA	0.48	1.37	0.74	NA
ALLOSE (CAS# 2595-97-3); (M-H)+[-H2O]	ME194765	1.53	0.88	0.56	NA	1.71	0.65	0.85	NA
5^-METHYLTHIOADENOSINE (CAS# 2457-80-9); (M+HCOO)-	ME194748	0.58	1.20	1.00	NA	0.79	1.27	1.16	NA
4-PYRIDOXATE (CAS# 82-82-6); (M-H)-	ME194745	0.66	1.26	1.44	NA	0.52	1.16	0.99	NA
4-NITROPHENOL (CAS# 100-02-7); (M-H)-	ME194744	0.98	1.32	0.99	NA	0.93	0.87	0.94	NA
4-ACETAMIDOBUTANOATE (CAS# 3025-96-5); (M-H)-	ME194734	0.86	3.14	0.98	NA	NA	0.95	0.43	NA
16:0 LYSO PC (CAS# 17364-16-8); (M+HCOO)-	ME194704	1.28	0.24	1.49	NA	1.35	0.40	1.24	NA
2^-DEOXYGUANOSINE (CAS# 961-07-9); (M+CL)-	ME194708	NA	0.97	1.48	NA	0.15	0.57	1.46	NA
4-METHYL-2-OXOVALERIC ACID (CAS# 816-66-0); (M-H)-	ME194741	0.85	0.48	1.19	NA	0.82	1.13	1.27	NA
2-OXOADIPATE (CAS# 3184-35-8); (M-H)-	ME194718	0.79	NA	NA	NA	0.76	1.67	0.79	NA
4-HYDROXYBENZOATE (CAS# 99-96-7); (M-H)-	ME194738	0.93	0.94	0.37	NA	0.90	1.35	0.20	NA
2^-DEOXYGUANOSINE (CAS# 961-07-9); (M-H)-	ME194709	NA	0.78	0.52	NA	NA	0.91	1.37	NA
2-DEOXY-D-GLUCOSE (CAS# 154-17-6); (M+CL)-	ME194712	1.35	0.37	0.73	NA	1.19	1.49	0.83	NA
5-AMINOPENTANOATE (CAS# 660-88-8); (M-H)-	ME194749	1.74	0.74	0.84	NA	1.20	0.60	0.86	NA
3-HYDROXY-3-METHYLGLUTARATE (CAS# 503-49-1); (M-H)-	ME194725	1.68	0.76	0.63	NA	1.36	0.82	0.83	NA
ARACHIDONATE (CAS# 506-32-1); (M-H)-	ME194771	2.32	0.45	1.03	NA	1.26	0.44	0.59	NA
ADIPIC ACID (CAS# 124-04-9 ); (M-H)-	ME194762	0.96	1.58	0.95	NA	0.90	0.64	0.88	NA
6-HYDROXYNICOTINATE (CAS# 5006-66-6); (M-H)-	ME194757	0.95	0.72	0.92	NA	0.43	1.39	1.10	NA
3-(4-HYDROXYPHENYL)PYRUVATE (CAS# 156-39-8 ); (M-H)-	ME194723	NA	0.03	1.10	NA	2.00	0.75	1.18	NA
2-HYDROXY-4-(METHYLTHIO)BUTYRIC ACID (CAS# 583-91-5); (M-H)-	ME194715	1.21	NA	0.63	NA	1.18	1.53	0.36	NA
2-METHYLGLUTARIC ACID (CAS# 18069-17-5); (M-H)-	ME194716	0.96	1.58	0.96	NA	0.90	0.64	0.87	NA
ALPHA-LINOLENIC ACID (CAS# 463-40-1); (M+HCOO)-	ME194768	1.15	1.06	0.86	NA	0.95	1.00	0.98	NA
5-HYDROXYTRYPTOPHAN (CAS# 4350-09-8); (M-H)-	ME194753	2.10	0.20	1.12	NA	1.37	0.35	1.03	NA
ARACHIDIC ACID (CAS# 506-30-9); (M-H)-	ME194770	0.77	0.89	0.96	NA	0.73	1.49	0.66	NA
ALPHA-D-GALACTOSE 1-PHOSPHATE (CAS# 2255-14-3); (M-H)-	ME194766	1.96	NA	0.92	NA	0.17	NA	0.08	NA
16:0 LYSO PC (CAS# 17364-16-8); (M+CL)-	ME194703	1.35	0.40	1.53	NA	0.69	0.28	0.85	NA
ADENOSINE (CAS# 58-61-7); (M+CL)-	ME194759	NA	0.97	1.48	NA	0.15	0.57	1.46	NA
ALLANTOIN (CAS# 97-59-6); (M-H)-	ME194764	0.77	1.10	0.93	NA	0.67	1.47	1.36	NA
3-METHYLADIPIC ACID (CAS# 3058-01-3); (M-H)-	ME194730	0.85	1.13	1.09	NA	0.86	0.95	1.08	NA
10-HYDROXYDECANOATE (CAS# 1679-53-4); (M-H)-	ME194700	0.52	1.18	NA	NA	1.60	0.84	NA	NA
1-METHYLADENOSINE (CAS# 15763-06-1); (M+CL)-	ME194697	0.92	0.98	0.89	NA	1.06	0.43	1.24	NA
3-METHYGLUTARIC ACID (CAS# 626-51-7); (M-H)-	ME194729	0.97	1.59	0.95	NA	0.90	0.64	0.87	NA
18:0 LYSO-PE (CAS# 69747-55-3); (M-H)-	ME194706	0.92	0.73	0.70	NA	1.06	1.54	0.98	NA
1-METHYLURIC ACID (CAS# 708-79-2); (M-H)-	ME194698	NA	0.69	0.88	NA	1.14	1.35	0.25	NA
6-CARBOXYHEXANOATE (CAS# 111-16-0); (M-H)-	ME194756	0.85	1.14	1.10	NA	0.79	0.99	1.09	NA
5^-DEOXYADENOSINE (CAS# 4754-39-6); (M+HCOO)-	ME194746	NA	0.94	0.98	NA	0.84	1.10	NA	NA
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONE (CAS# 516-55-2); (M+CL)-[-H2O]	ME194732	0.56	0.86	0.51	NA	0.86	0.94	1.31	NA
4-NITROBENZOIC ACID (CAS# 62-23-7); (M-H)-	ME194742	0.70	1.03	1.65	NA	0.96	0.91	0.91	NA

Factors:

F1	Genotype:FLOX \| Intestinal Segment:Duodenum
F2	Genotype:FLOX \| Intestinal Segment:Illeum
F3	Genotype:FLOX \| Intestinal Segment:Jejunum
F4	Genotype:- \| Intestinal Segment:-
F5	Genotype:Knockout \| Intestinal Segment:Duodenum
F6	Genotype:Knockout \| Intestinal Segment:Illeum
F7	Genotype:Knockout \| Intestinal Segment:Jejunum
F8	Genotype:Pooled flushing \| Intestinal Segment:Pooled flushing

Data matrix