Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolomic changes during active immunization with anti-METH vaccines. (Study ST000456)

Reversed phase NEGATIVE ION MODE (Analysis AN000715)

Metabolite	Structure	F1	F2	F3	F4	F5
Putrescine	ME153396	0.21	2.03	0.11	0.03	1.30
Carnosine	ME153387	0.05	1.80	NA	NA	0.01
SDMA	ME153397	0.03	1.45	0.02	0.00	NA
alpha-AAA	ME153385	0.20	2.53	0.21	0.20	0.31
Kynurenine	ME153392	0.20	2.56	0.27	0.16	0.41
C8	ME153360	0.25	2.42	0.23	0.22	0.20
C12	ME153326	0.18	2.53	0.19	0.17	0.14
PC aa C24:0	ME153418	0.21	2.52	0.22	0.15	0.13
Spermine	ME153400	0.11	2.87	0.11	0.08	0.14
total DMA	ME153403	0.10	2.88	0.10	0.09	0.12
DOPA	ME153389	0.01	2.51	0.01	0.02	0.03
Histamine	ME153391	0.01	2.59	0.01	0.01	0.05
C18	ME153340	0.48	1.97	0.48	0.37	0.56
C5	ME153352	0.54	2.01	0.43	0.35	0.47
ADMA	ME153384	0.30	2.30	0.35	0.35	0.50
C14	ME153329	0.44	2.12	0.52	0.37	0.26
C10	ME153323	0.33	2.31	0.30	0.26	0.25
C6 (C4:1-DC)	ME153351	0.45	2.27	0.37	0.29	0.15
Creatinine	ME153388	0.96	2.08	0.40	0.31	0.25
C4	ME153349	0.82	1.77	0.58	0.59	0.32
C16	ME153334	0.63	1.85	0.70	0.47	0.40
PC ae C34:3	ME153464	0.76	1.71	0.81	0.56	0.45
t4-OH-Pro	ME153401	0.48	1.05	0.48	0.52	2.25
Met	ME153374	0.62	1.52	0.54	0.63	1.16
Met-SO	ME153393	0.59	1.47	0.79	0.83	0.89
Spermidine	ME153399	0.51	1.53	0.76	0.72	0.87
Ala	ME153362	0.66	1.07	0.77	0.80	1.57
Asn	ME153364	0.63	1.27	0.71	0.65	1.44
Pro	ME153377	0.65	1.18	0.63	0.72	1.57
Tyr	ME153381	0.57	1.29	0.59	0.61	1.59
Orn	ME153375	0.69	1.23	0.85	1.00	1.01
Phe	ME153376	0.77	1.24	0.76	0.91	1.06
Trp	ME153380	0.67	1.26	0.78	0.77	1.25
Asp	ME153365	0.79	1.29	0.80	0.74	1.10
His	ME153370	0.85	1.21	0.74	0.80	1.11
Val	ME153382	0.84	1.22	0.81	0.78	1.12
Glu	ME153368	0.63	1.05	0.93	1.08	1.23
Leu	ME153372	0.90	0.98	0.89	1.01	1.20
H1	ME153509	1.03	0.98	0.96	0.89	1.16
Ile	ME153371	0.94	1.08	0.88	0.91	1.09
Arg	ME153363	0.83	1.02	0.76	0.92	1.37
Lys	ME153373	0.79	1.00	0.82	0.94	1.38
Ser	ME153378	0.88	0.87	0.88	1.06	1.37
Thr	ME153379	0.83	0.91	0.96	1.00	1.35
C2	ME153344	1.73	0.80	1.45	1.18	0.20
lysoPC a C16:1	ME153406	1.64	0.79	1.58	0.95	0.45
lysoPC a C20:3	ME153411	1.53	0.83	1.49	0.87	0.61
C10:2	ME153325	1.76	1.03	0.71	0.79	0.57
PC aa C38:6	ME153443	1.51	0.98	1.20	0.66	0.74
PC aa C40:6	ME153449	1.67	0.89	1.11	0.65	0.82
PC aa C32:1	ME153424	1.58	1.16	1.00	0.63	0.47
PC aa C40:5	ME153448	1.42	1.30	1.05	0.71	0.48
PC aa C28:1	ME153420	0.91	1.42	0.98	0.66	0.60
SM C18:1	ME153502	0.97	1.38	0.94	0.74	0.60
C3	ME153345	0.75	1.54	0.74	0.69	0.66
C6:1	ME153358	0.86	1.46	0.76	0.71	0.67
PC ae C36:5	ME153470	0.90	1.46	0.83	0.61	0.68
PC aa C34:1	ME153427	1.35	1.11	1.04	0.71	0.68
C5-DC (C6-OH)	ME153357	1.38	0.98	0.91	0.86	0.85
C5:1-DC	ME153356	1.26	1.05	0.93	0.87	0.82
C9	ME153361	1.28	1.10	0.86	0.85	0.76
PC ae C44:6	ME153493	1.21	1.14	1.23	0.80	0.56
PC ae C42:4	ME153488	1.12	1.29	1.17	0.88	0.55
PC ae C36:3	ME153468	1.06	1.26	1.14	0.77	0.59
PC ae C44:5	ME153492	1.09	1.24	1.13	0.76	0.59
SM (OH) C14:1	ME153494	1.10	1.22	1.00	0.85	0.64
SM (OH) C16:1	ME153495	1.08	1.21	1.06	0.85	0.68
Ac-Orn	ME153383	1.01	1.25	0.91	0.89	0.71
C10:1	ME153324	1.05	1.20	0.95	0.89	0.68
C12:1	ME153328	1.16	1.21	0.90	0.78	0.70
PC ae C38:6	ME153477	1.11	1.28	1.01	0.68	0.68
SM C18:0	ME153501	1.05	1.25	0.98	0.77	0.69
Cit	ME153366	1.01	1.15	1.18	0.87	0.72
SM C16:1	ME153500	1.15	1.10	1.07	0.89	0.70
C14:2-OH	ME153333	0.88	1.30	0.90	0.81	0.77
C12-DC	ME153327	0.91	1.18	0.90	0.88	0.92
C5-M-DC	ME153353	0.89	1.27	0.78	0.86	0.85
Gly	ME153369	0.85	1.25	0.78	0.91	0.96
PC aa C36:5	ME153436	1.20	1.18	1.04	0.62	0.79
PC aa C30:0	ME153421	1.08	1.19	1.01	0.71	0.81
PC ae C36:4	ME153469	1.10	1.15	0.99	0.69	0.91
PC ae C38:5	ME153476	1.06	1.18	0.99	0.69	0.88
C5:1	ME153355	1.04	1.19	0.83	0.85	0.83
C4:1	ME153350	1.10	1.17	0.83	0.86	0.80
C7-DC	ME153359	1.08	1.16	0.88	0.84	0.83
C3:1	ME153348	1.15	1.06	0.87	0.87	0.95
C5-OH (C3-DC-M)	ME153354	1.00	1.07	0.95	1.00	0.89
C16:2-OH	ME153339	1.01	1.14	0.98	0.87	0.86
C3-OH	ME153347	1.06	1.09	0.96	0.86	0.92
C0	ME153322	1.07	0.80	1.23	1.34	0.82
PC ae C38:3	ME153474	1.16	0.90	1.26	0.86	1.01
PC ae C40:3	ME153480	1.12	0.82	1.20	0.97	1.14
C16-OH	ME153335	1.14	0.86	1.21	0.90	1.09
SM (OH) C24:1	ME153498	1.20	0.80	1.23	0.92	1.10
Serotonin	ME153398	0.97	0.90	1.19	1.02	1.08
Taurine	ME153402	1.05	0.82	1.08	1.09	1.12
PC aa C36:4	ME153435	1.27	1.00	1.03	0.62	1.09
PC aa C34:2	ME153428	1.31	0.95	1.12	0.71	1.02
SM C22:3	ME153504	1.33	0.91	1.08	0.66	1.15
PC aa C32:0	ME153423	1.31	0.85	1.11	0.77	1.14
PC aa C38:4	ME153441	1.37	0.88	1.10	0.72	1.09
lysoPC a C18:2	ME153410	1.37	0.79	1.29	0.77	1.10
lysoPC a C20:4	ME153412	1.43	0.78	1.28	0.60	1.24
SM (OH) C22:2	ME153497	1.31	0.92	1.36	1.12	0.49
PC aa C38:1	ME153439	1.27	0.76	1.63	1.10	0.70
lysoPC a C17:0	ME153407	1.31	0.77	1.50	1.27	0.54
lysoPC a C18:1	ME153409	1.31	0.79	1.46	1.17	0.64
C3-DC (C4-OH)	ME153346	1.52	0.82	1.22	1.03	0.67
lysoPC a C16:0	ME153405	1.32	0.79	1.32	1.05	0.84
lysoPC a C24:0	ME153413	1.27	0.78	1.35	1.12	0.82
lysoPC a C18:0	ME153408	1.32	0.77	1.31	1.18	0.76
SM (OH) C22:1	ME153496	1.34	0.82	1.24	1.13	0.73
SM C24:0	ME153505	1.30	0.80	1.22	1.05	0.90
SM C26:0	ME153507	1.31	0.79	1.21	1.03	0.94
lysoPC a C14:0	ME153404	1.23	0.76	1.30	1.10	0.96
SM C26:1	ME153508	1.21	0.80	1.32	1.00	0.96
lysoPC a C28:1	ME153417	1.42	0.83	1.34	0.82	0.87
PC ae C40:1	ME153478	1.50	0.77	1.37	0.80	0.90
PC aa C40:2	ME153445	1.20	0.76	1.47	1.01	0.95
PC ae C42:1	ME153485	1.28	0.78	1.45	0.91	0.94
C18:2	ME153343	1.39	0.84	1.50	0.88	0.71
PC ae C42:3	ME153487	1.43	0.81	1.50	0.91	0.71
PC ae C42:2	ME153486	1.40	0.79	1.54	0.99	0.68
PC aa C42:2	ME153452	1.35	0.79	1.52	0.99	0.73
PC ae C44:3	ME153490	1.35	0.79	1.51	0.94	0.78
PC aa C40:3	ME153446	1.24	0.83	1.47	1.01	0.76
PC aa C42:1	ME153451	1.28	0.85	1.48	0.97	0.73
PC ae C38:2	ME153473	1.29	0.83	1.49	1.00	0.73
C18:1	ME153341	1.27	0.81	1.41	1.03	0.81
PC aa C42:4	ME153453	1.29	0.79	1.43	0.98	0.87
PC ae C36:1	ME153466	1.21	0.93	1.32	0.82	0.89
PC aa C36:0	ME153431	1.29	0.86	1.33	0.88	0.89
PC ae C30:1	ME153457	1.28	0.84	1.36	0.88	0.88
PC aa C42:0	ME153450	1.23	0.87	1.39	0.91	0.85
PC ae C38:1	ME153472	1.21	0.86	1.37	0.91	0.91
PC aa C40:1	ME153444	1.17	0.93	1.44	0.94	0.73
PC ae C44:4	ME153491	1.25	0.93	1.40	0.97	0.66
PC aa C38:0	ME153438	1.24	0.95	1.42	0.89	0.69
PC ae C36:2	ME153467	1.28	0.90	1.42	0.90	0.73
PC ae C40:2	ME153479	1.28	0.87	1.36	0.99	0.74
PC ae C40:5	ME153482	1.27	0.90	1.34	0.92	0.78
lysoPC a C26:0	ME153414	1.30	0.88	1.32	0.92	0.81
PC ae C34:0	ME153461	1.31	0.85	1.32	0.95	0.81
lysoPC a C26:1	ME153415	1.25	0.83	1.33	0.99	0.86
PC ae C40:4	ME153481	1.31	0.83	1.35	0.98	0.82
PC aa C40:4	ME153447	1.37	0.90	1.30	0.87	0.77
PC ae C36:0	ME153465	1.33	0.90	1.30	0.94	0.72
PC aa C42:5	ME153454	1.35	0.86	1.41	0.94	0.73
PC ae C30:2	ME153458	1.33	0.84	1.39	0.94	0.78
PC ae C38:0	ME153471	1.38	0.90	1.36	0.86	0.71
lysoPC a C28:0	ME153416	1.40	0.86	1.37	0.90	0.74
PC aa C42:6	ME153455	1.38	0.87	1.38	0.92	0.70
Gln	ME153367	1.09	1.07	1.08	0.80	0.93
PC aa C26:0	ME153419	1.13	1.04	1.11	0.81	0.90
PC aa C36:2	ME153433	1.32	0.92	1.18	0.78	0.93
PC ae C34:1	ME153462	1.23	0.94	1.20	0.87	0.90
PC ae C38:4	ME153475	1.25	0.98	1.20	0.79	0.87
PC ae C30:0	ME153456	1.21	0.94	1.19	0.95	0.83
PC ae C42:5	ME153489	1.22	0.95	1.18	0.94	0.83
C18:1-OH	ME153342	1.16	0.94	1.19	0.98	0.86
SM C24:1	ME153506	1.21	0.90	1.17	0.99	0.88
PC ae C32:1	ME153459	1.18	1.02	1.18	0.88	0.77
PC ae C42:0	ME153484	1.13	1.05	1.19	0.90	0.75
PC aa C30:2	ME153422	1.21	0.99	1.11	0.90	0.84
SM C16:0	ME153499	1.16	1.03	1.08	0.89	0.85
PC aa C36:6	ME153437	1.29	1.04	1.26	0.74	0.73
PC ae C34:2	ME153463	1.22	1.02	1.27	0.85	0.72
PC aa C32:3	ME153426	1.25	1.04	1.25	0.82	0.69
PC aa C36:3	ME153434	1.24	1.04	1.27	0.79	0.72
PC aa C34:3	ME153429	1.42	0.95	1.35	0.79	0.66
PC aa C32:2	ME153425	1.43	0.99	1.30	0.75	0.64
PC aa C34:4	ME153430	1.42	1.02	1.30	0.70	0.64
PC aa C36:1	ME153432	1.41	0.96	1.19	0.86	0.68
PC aa C38:5	ME153442	1.44	0.97	1.21	0.82	0.65
PC aa C38:3	ME153440	1.36	1.02	1.22	0.82	0.64
PC ae C40:6	ME153483	1.34	0.98	1.33	0.82	0.65
SM C20:2	ME153503	1.35	1.00	1.28	0.82	0.64
C14:1	ME153330	1.21	0.89	1.36	1.09	0.70
C16:1-OH	ME153337	1.17	0.92	1.31	1.00	0.79
C16:1	ME153336	1.11	1.06	1.32	0.96	0.59
C16:2	ME153338	1.25	1.04	1.20	0.93	0.61
C14:2	ME153332	1.27	0.96	1.22	1.02	0.65
C14:1-OH	ME153331	1.19	0.99	1.30	0.99	0.64
PC ae C32:2	ME153460	1.21	1.00	1.26	0.93	0.68

Factors:

F1	MCV:Act KLH \| Adjuvant:RIBI \| Sample Collection:Immunized (17 wks)
F2	MCV:- \| Adjuvant:- \| Sample Collection:-
F3	MCV:SSM09 \| Adjuvant:None \| Sample Collection:Immunized (17 wks)
F4	MCV:SSM09 \| Adjuvant:RIBI \| Sample Collection:Immunized (17 wks)
F5	MCV:SSM09 \| Adjuvant:RIBI \| Sample Collection:Pre-Immune (0 wks)

Data matrix