Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for Metabolic profiling of cyst fluid from patients with Intraductal Pancreatic Mucinous Neoplasm (part II) (Study ST000823)

TripleTOF 5600+/C18 NEGATIVE ION MODE (Analysis AN001308)

Metabolite	Structure	F1	F2	F3
PG 36:3; [M-H]-@5.51	ME221201	2.79	0.52	0.29
PG 38:5; [M-H]-@5.39	ME221203	3.82	0.52	0.31
PC 40:6; [M-Ac-H]-@6.72	ME221149	0.72	1.87	0.51
plasmenyl-PE 36:1; [M-H]-@7.77	ME221246	0.84	1.93	0.29
PS 36:2; [M-H]-@6.25	ME221218	0.82	1.93	0.31
PC 40:5; [M-Ac-H]-@7.03	ME221148	0.75	1.96	0.37
lysoPE 18:1; [M-H]-@1.81	ME221228	0.78	1.88	0.41
plasmenyl-PE 18:0; [M-H]-@2.10	ME221267	0.78	1.88	0.41
CerP 34:0; [M-H]-@6.16	ME221089	0.95	1.92	0.13
PE 34:2; [M-H]-@5.16	ME221164	1.02	1.93	0.05
PE 34:0; [M-H]-@5.98	ME221160	1.10	1.75	0.11
plasmenyl-PE 34:1; [M-H]-@7.20	ME221242	0.98	1.74	0.29
PS 36:1; [M-H]-@6.61	ME221216	0.98	1.83	0.20
PE 36:1; [M-H]-@6.19	ME221172	0.78	2.16	0.13
PE 36:2; [M-H]-@5.70	ME221175	0.97	2.23	0.21
PE 36:3; [M-H]-@5.26	ME221177	0.67	2.44	0.06
PC 33:2; [M-Ac-H]-@6.00	ME221124	0.55	2.33	0.27
plasmenyl-PE 38:1; [M-H]-@8.27	ME221253	0.54	2.23	0.38
lysoPE 18:2; [M-H]-@1.42	ME221229	0.32	2.12	0.68
PE 42:10; [M-H]-@5.90	ME221193	0.36	2.00	0.56
PS 38:4; [M-H]-@6.13	ME221221	0.20	2.10	0.11
PS 40:6; [M-H]-@6.06	ME221224	0.18	1.82	NA
PC 36:5; [M-Ac-H]-@5.72	ME221137	1.76	0.29	0.54
PS 39:1; [M-H]-@7.40	ME221222	1.68	0.27	0.57
PG 35:2; [M-H]-@5.63	ME221198	1.58	0.23	0.23
PS 36:1; [M-H]-@7.42	ME221217	1.44	NA	0.41
CerP 32:1; [M-H]-@5.19	ME221087	1.77	0.70	0.53
PE 36:1; [M-H]-@7.47	ME221173	1.63	0.57	0.58
plasmenyl-PE 34:3; [M-H]-@6.41	ME221244	1.63	0.61	0.45
PS 40:2; [M-H]-@7.41	ME221223	1.71	0.62	0.44
PG 34:2; [M-H]-@5.46	ME221197	1.66	0.82	0.30
PC 35:3; [M-Ac-H]-@6.14	ME221130	1.50	0.88	0.46
plasmenyl-PE 38:6; [M-H]-@6.61	ME221259	1.57	0.75	0.49
PS 38:1; [M-H]-@7.13	ME221219	1.95	0.52	0.53
CerP 33:1; [M-H]-@5.54	ME221088	2.11	0.46	0.43
PC 37:4; [M-Ac-H]-@6.53	ME221140	2.11	0.38	0.51
CerP 34:2; [M-H]-@5.36	ME221091	1.95	0.42	0.32
PG 40:7; [M-H]-@5.31	ME221205	1.83	0.51	0.38
PE 32:1; [M-H]-@5.44	ME221155	1.93	0.69	0.38
PG 36:2; [M-H]-@5.99	ME221200	1.83	0.66	0.24
PA 34:1; [M-H]-@6.72	ME221115	1.99	0.09	0.92
PE 33:1; [M-H]-@6.60	ME221158	1.21	0.04	1.04
plasmenyl-PE 40:5; [M-H]-@7.40	ME221262	1.46	0.17	0.94
FFA(24:2)	ME221107	1.39	0.33	1.16
PC 38:4; [M-Ac-H]-@6.83	ME221143	1.32	0.26	1.18
PC 36:4; [M-Ac-H]-@6.23	ME221136	1.66	0.47	0.86
plasmenyl-PE 36:0; [M-H]-@7.13	ME221245	1.63	0.35	1.02
plasmenyl-PE 38:5; [M-H]-@6.77	ME221258	1.45	0.59	0.82
lysoPE 20:5; [M-H]-@1.10	ME221232	1.50	0.47	0.79
PC 38:5; [M-Ac-H]-@6.45	ME221144	1.46	0.49	0.90
plasmenyl-PE 36:5; [M-H]-@6.34	ME221252	1.25	0.66	1.01
PG 36:0; [M-H]-@7.03	ME221199	1.44	0.67	0.90
FFA(24:1)	ME221106	1.32	0.68	0.90
plasmenyl-PE 36:4; [M-H]-@6.73	ME221251	1.36	0.64	0.89
PE 37:4; [M-H]-@6.77	ME221180	1.25	0.43	0.94
PE 40:2; [M-H]-@7.47	ME221187	1.46	0.50	1.05
PS 36:0; [M-H]-@7.09	ME221215	1.35	0.57	1.13
CerP 34:1; [M-H]-@5.92	ME221090	1.19	1.19	0.56
PE 38:3; [M-H]-@7.26	ME221183	1.15	1.21	0.59
PE 30:0; [M-H]-@6.15	ME221152	1.21	1.41	0.45
plasmenyl-PE 40:4; [M-H]-@7.81	ME221261	1.13	1.43	0.55
PE 33:2; [M-H]-@6.14	ME221159	1.12	1.29	0.55
PE 38:4; [M-H]-@7.06	ME221184	1.08	1.33	0.56
plasmenyl-PE 32:1; [M-H]-@6.66	ME221238	1.27	1.65	0.38
PE 40:8; [M-H]-@5.97	ME221192	0.87	1.63	0.31
PE 35:1; [M-H]-@5.89	ME221168	0.87	1.61	0.18
PE 40:7; [M-H]-@6.43	ME221191	0.91	1.63	0.23
PE 35:0; [M-H]-@6.33	ME221167	1.00	1.38	0.44
PE 32:2; [M-H]-@5.79	ME221156	1.02	1.49	0.47
PE 36:3; [M-H]-@6.60	ME221176	1.01	1.48	0.51
plasmenyl-PE 34:0; [M-H]-@6.96	ME221240	1.14	1.50	0.31
plasmenyl-PE 38:2; [M-H]-@7.90	ME221255	1.13	1.55	0.28
N-(hexadecanoyl)-sphinganine; [M-H]-@7.11	ME221113	1.03	1.57	0.38
plasmenyl-PE 34:2; [M-H]-@6.77	ME221243	0.98	1.65	0.37
plasmenyl-PE 42:5; [M-H]-@7.91	ME221265	1.36	0.94	0.70
plasmenyl-PE 38:3; [M-H]-@7.53	ME221256	1.38	0.96	0.53
PE 34:1; [M-H]-@6.91	ME221161	1.34	1.03	0.53
plasmenyl-PE 36:3; [M-H]-@6.97	ME221250	1.34	1.01	0.54
PE 38:2; [M-H]-@7.63	ME221182	1.33	0.99	0.57
plasmenyl-PE 40:6; [M-H]-@7.24	ME221263	1.31	0.98	0.61
plasmenyl-PE 36:1; [M-H]-@7.05	ME221247	1.28	1.04	0.60
plasmenyl-PE 36:2; [M-H]-@7.33	ME221248	1.28	0.98	0.66
PC 35:4; [M-Ac-H]-@5.97	ME221131	1.38	0.80	0.70
PE 35:2; [M-H]-@6.72	ME221169	1.46	0.73	0.65
PI 38:4; [M-H]-@6.03	ME221210	1.18	0.98	0.77
PE 33:0; [M-H]-@7.10	ME221157	1.20	0.83	0.90
PE 40:6; [M-H]-@6.96	ME221190	1.31	0.80	0.82
PG 34:1; [M-H]-@5.90	ME221196	1.31	0.82	0.77
plasmenyl-PE 42:6; [M-H]-@7.79	ME221266	1.23	1.31	0.23
plasmenyl-PE 33:1; [M-H]-@6.95	ME221239	1.36	1.39	0.27
plasmenyl-PE 42:4; [M-H]-@8.24	ME221264	1.30	1.39	0.21
PA 34:3; [M-H]-@5.64	ME221117	1.32	1.00	0.38
PE 36:2; [M-H]-@7.02	ME221174	1.27	1.19	0.45
PA 36:4; [M-H]-@6.05	ME221118	1.31	1.10	0.39
PE 36:5; [M-H]-@5.93	ME221179	1.37	1.16	0.34
PG 40:5; [M-H]-@5.93	ME221204	1.52	1.00	0.31
PS 38:3; [M-H]-@6.38	ME221220	1.44	1.14	0.26
PE 32:0; [M-H]-@5.45	ME221153	1.63	1.20	0.17
PC 34:3; [M-Ac-H]-@5.82	ME221127	1.41	0.86	0.18
PG 38:4; [M-H]-@5.67	ME221202	1.50	0.96	0.06
PC 40:7; [M-Ac-H]-@6.31	ME221150	0.94	1.11	0.95
PE 34:1; [M-H]-@6.12	ME221162	0.94	1.10	0.97
N-(15Z-tetracosenoyl)-sphing-4-enine; [M-H]-@8.50	ME221110	0.91	1.09	1.03
CerP 35:1; [M-H]-@6.22	ME221092	0.96	1.04	1.01
PE 36:0; [M-H]-@7.88	ME221171	0.93	1.03	1.05
PG 32:0; [M-H]-@5.91	ME221194	0.95	1.03	1.04
PC 33:1; [M-Ac-H]-@6.47	ME221123	1.02	0.90	1.06
plasmenyl-PE 40:4; [M-H]-@6.77	ME221260	1.01	0.95	1.03
N-(dodecanoyl)-sphing-4-enine; [M-H]-@5.56	ME221111	1.10	0.90	0.96
lysoPE 18:0; [M-H]-@2.48	ME221227	1.08	0.95	0.94
PE 38:0; [M-H]-@7.78	ME221181	1.08	0.98	0.91
PC 36:1; [M-Ac-H]-@7.34	ME221133	1.09	0.70	1.18
IS PC 34:0;[M-Ac-H]-	ME221109	1.06	0.83	1.09
PE 38:5; [M-H]-@6.58	ME221185	1.09	0.81	1.07
PI 36:4; [M-H]-@5.39	ME221209	1.14	0.70	1.11
plasmenyl-PE 38:4; [M-H]-@7.30	ME221257	1.12	0.73	1.02
PC 38:2; [M-Ac-H]-@7.45	ME221141	1.10	0.72	1.06
PC 38:6; [M-Ac-H]-@6.06	ME221145	1.08	0.74	1.06
PC 32:2; [M-Ac-H]-@5.62	ME221122	0.77	1.00	1.24
PA 38:5; [M-H]-@5.96	ME221119	0.96	0.78	1.28
PE 35:0; [M-H]-@7.61	ME221166	0.95	0.86	1.21
PE 35:4; [M-H]-@6.13	ME221170	0.92	0.90	1.20
PC 38:7; [M-Ac-H]-@5.54	ME221146	0.66	1.23	1.34
lysoPE 16:1; [M-H]-@1.30	ME221226	0.59	1.25	1.03
PE 40:5; [M-H]-@7.12	ME221189	0.64	1.27	0.97
PI 36:2; [M-H]-@6.03	ME221208	0.79	1.13	1.16
PC 36:0; [M-Ac-H]-@7.80	ME221132	0.75	1.27	1.06
PS 34:0; [M-H]-@6.49	ME221212	0.73	1.23	1.13
PE 34:3; [M-H]-@5.98	ME221165	1.03	1.20	0.75
PG 33:0; [M-H]-@6.21	ME221195	0.92	1.32	0.79
lysoPE 22:6; [M-H]-@1.33	ME221235	0.81	1.37	0.89
PE 38:6; [M-H]-@6.21	ME221186	0.88	1.24	0.92
FFA(24:0)	ME221105	0.96	1.38	0.68
PE 32:1; [M-H]-@6.30	ME221154	0.95	1.44	0.62
lysoPE 22:4; [M-H]-@1.93	ME221233	0.79	1.44	0.77
N-(tetracosanoyl)-sphing-4-enine; [M-H]-@8.95	ME221114	0.81	1.48	0.78
PC 40:4; [M-Ac-H]-@7.34	ME221147	0.87	1.46	0.73
PE 36:4; [M-H]-@6.24	ME221178	0.87	1.42	0.76
lysoPE 20:3; [M-H]-@1.63	ME221230	0.67	1.71	0.73
lysoPE 20:4; [M-H]-@1.39	ME221231	0.69	1.71	0.60
N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.90	ME221112	0.70	1.56	0.84
PC 40:8; [M-Ac-H]-@5.84	ME221151	0.47	1.58	0.85
PE 34:2; [M-H]-@6.46	ME221163	0.56	1.56	1.03
plasmenyl-PE 38:2; [M-H]-@6.98	ME221254	0.03	0.71	1.62
FFA(20:4) Arachidonic acid	ME221100	0.48	0.22	2.47
PA 38:6; [M-H]-@6.12	ME221120	1.07	0.39	2.56
PC 35:2; [M-Ac-H]-@6.60	ME221129	0.80	0.31	2.09
plasmenyl-PE 34:0; [M-H]-@7.70	ME221241	0.82	0.40	2.25
PC 36:3; [M-Ac-H]-@6.47	ME221135	1.31	0.04	1.33
PC 37:3; [M-Ac-H]-@6.74	ME221139	1.08	0.32	1.40
PC 38:3; [M-Ac-H]-@7.13	ME221142	1.13	0.28	1.31
FFA(24:3)	ME221108	1.28	0.27	1.35
PC 34:2; [M-Ac-H]-@6.31	ME221126	1.28	0.29	1.33
plasmenyl-PE 36:2; [M-H]-@6.63	ME221249	1.16	0.14	1.42
PC 34:4; [M-Ac-H]-@5.64	ME221128	1.12	0.29	1.54
FFA(18:0)	ME221094	1.22	0.20	1.50
PC 36:2; [M-Ac-H]-@6.92	ME221134	1.19	0.20	1.54
FFA(22:0)	ME221101	1.19	0.28	1.47
PC 34:1; [M-Ac-H]-@6.75	ME221125	1.16	0.32	1.47
FFA(16:0)	ME221093	1.24	0.24	1.45
FFA(22:1)	ME221102	1.23	0.29	1.41
FFA(22:2)	ME221103	1.18	0.15	1.60
FFA(20:0)	ME221097	1.23	0.11	1.58
FFA(20:1)	ME221098	1.23	0.08	1.62
FFA(18:2)	ME221096	1.04	0.09	1.86
FFA(20:2)	ME221099	1.16	0.07	1.72
FFA(18:1)	ME221095	1.09	0.13	1.74
FFA(22:3)	ME221104	1.05	0.20	1.73
PI 34:2; [M-H]-@5.37	ME221206	0.87	0.29	1.89
PA 34:2; [M-H]-@6.24	ME221116	0.98	0.29	1.74
PC 32:0; [M-Ac-H]-@6.67	ME221121	1.03	0.32	1.63
PI 38:5; [M-H]-@5.50	ME221211	0.98	0.61	1.42
lysoPE 24:0; [M-H]-@5.33	ME221236	1.19	0.63	1.55
PE 40:4; [M-H]-@7.45	ME221188	1.10	0.50	1.60
PS 34:0; [M-H]-@7.39	ME221213	0.76	0.47	1.50
PS 34:0; [M-H]-@7.56	ME221214	0.76	0.47	1.50
plasmenyl-PE 32:0; [M-H]-@7.13	ME221237	0.70	0.65	1.75
PC 36:6; [M-Ac-H]-@5.49	ME221138	0.92	0.89	1.58
PI 36:1; [M-H]-@6.44	ME221207	0.67	0.84	1.49
lysoPE 16:0; [M-H]-@1.66	ME221225	0.73	0.82	1.54
lysoPE 22:5; [M-H]-@1.53	ME221234	0.74	0.76	1.49

Factors:

F1	Diagnosis:IPMN \| Dysplasia:LGD
F2	Diagnosis:MCN \| Dysplasia:LGD
F3	Diagnosis:SCA \| Dysplasia:N/A

Data matrix