Metabolomics Workbench : NIH Data Repository

Clustering data with hclust algorithm for (Study ST002764)

Reversed phase NEGATIVE ION MODE (Analysis AN004498)

Metabolite	Structure	F1	F2
FA 28:0; (montanic acid)	ME716291	1.02	0.98
FA 22:1; (erucic acid)	ME716285	1.02	0.98
SM d32:2;	ME716399	0.96	1.04
FA 24:1; (nervonic acid)	ME716289	1.04	0.96
1_PC 12:0/13:0; iSTD	ME716240	1.02	0.98
PC p-36:1; or PC o-36:2;	ME716354	0.94	1.06
PC p-40:3; or PC o-40:4;	ME716362	0.97	1.03
SM d41:2;	ME716418	0.91	1.09
SM d32:1;	ME716398	0.98	1.02
PI 38:5;	ME716394	1.01	0.99
SM d40:3;	ME716416	0.92	1.08
PC 38:5; B	ME716340	1.03	0.97
LPC 20:1;	ME716306	0.99	1.01
PC p-38:5; or PC o-38:6;	ME716361	0.98	1.02
SM d36:1;	ME716405	0.95	1.05
PC 40:8;	ME716348	0.99	1.01
PC 36:4; B	ME716331	1.01	0.99
Ceramide d38:1;	ME716250	0.98	1.02
Ceramide d42:0;	ME716256	1.10	0.90
PC 38:3;	ME716337	1.04	0.96
FA 13:0; (tridecylic acid)	ME716266	1.01	0.99
FA 20:0; (arachidic acid)	ME716277	1.01	0.99
PI 34:2;	ME716390	1.07	0.93
PC p-36:2; or PC o-36:3;	ME716355	0.92	1.08
PC 38:2;	ME716336	1.05	0.95
PC 37:2;	ME716334	0.99	1.01
LPC 20:3;	ME716308	0.96	1.04
PC 36:4; A	ME716330	0.96	1.04
Ceramide d39:1;	ME716251	0.95	1.05
GlcCer d41:1;	ME716295	0.95	1.05
PC p-36:3; or PC o-36:4;	ME716356	0.98	1.02
PC 37:4;	ME716335	0.96	1.04
PC 36:2;	ME716327	1.02	0.98
FA 18:1; (oleic acid)	ME716274	1.06	0.94
GlcCer d38:1;	ME716293	0.98	1.02
PC p-38:3; or PC o-38:4;	ME716358	0.97	1.03
SM d42:1;	ME716420	0.97	1.03
PE 38:2;	ME716373	1.01	0.99
Ceramide d42:2; B	ME716259	0.94	1.06
LPC 20:2;	ME716307	1.03	0.97
PC 34:3;	ME716321	0.97	1.03
SM d38:2;	ME716410	0.91	1.09
PE p-40:7; or PE o-40:8;	ME716389	1.01	0.99
PC 35:4;	ME716325	0.95	1.05
PC 35:1;	ME716323	0.97	1.03
1_LPC 17:0; iSTD	ME716237	0.99	1.01
FA 16:0; (palmitic acid)	ME716271	1.02	0.98
Ceramide d43:1;	ME716260	0.92	1.08
PE p-36:5; or PE o-36:6;	ME716381	1.03	0.97
SM d42:2; A	ME716421	1.00	1.00
Ceramide d32:1;	ME716244	0.95	1.05
PE p-38:3; or PE o-38:4;	ME716382	1.01	0.99
Ceramide d36:1;	ME716249	1.00	1.00
PI 36:2; PI 18:0-18:2;	ME716391	1.04	0.96
PC p-38:4; or PC o-38:5; A	ME716359	0.99	1.01
PE p-34:1; or PE o-34:2;	ME716376	1.03	0.97
LPC 18:1;	ME716304	0.99	1.01
SM d42:2; B	ME716422	0.94	1.06
PE p-36:4; or PE o-36:5;	ME716380	1.00	1.00
PE p-36:1; or PE o-36:2;	ME716378	1.02	0.98
Ceramide d44:1;	ME716261	0.96	1.04
PE 34:2;	ME716368	1.05	0.95
PI 38:4; PI 18:0-20:4;	ME716393	1.01	0.99
PE p-40:6; or PE o-40:7;	ME716388	0.99	1.01
FA 16:1; (palmitoleic acid)	ME716272	1.14	0.86
PE p-40:4; or PE o-40:5;	ME716386	0.98	1.02
SM d42:0;	ME716419	1.10	0.90
SM d41:1;	ME716417	0.94	1.06
PC 36:5; A	ME716332	1.00	1.00
LPC 18:0; A	ME716302	0.97	1.03
LPE 20:4;	ME716312	0.97	1.03
PC 40:5; B	ME716344	1.09	0.91
1_CUDA iSTD	ME716235	0.99	1.01
PC 32:0;	ME716314	1.03	0.97
LPE 18:2;	ME716311	0.97	1.03
FA 15:0; (pentadecylic acid)	ME716269	1.01	0.99
FA 10:0; (capric acid)	ME716263	1.00	1.00
FA 14:1; (physeteric acid)	ME716268	1.08	0.92
FA 18:2; (linoleic acid)	ME716275	1.00	1.00
SM d43:1;	ME716424	0.91	1.09
SM d40:1;	ME716413	0.96	1.04
PE p-36:2; or PE o-36:3;	ME716379	0.99	1.01
SM d34:0;	ME716401	0.96	1.04
1_PE 17:0/17:0; iSTD	ME716241	0.99	1.01
PI 40:6; PI 18:0-22:6;	ME716395	1.07	0.93
LPE 22:6;	ME716313	0.98	1.02
PC 38:4; A	ME716338	1.00	1.00
PE p-38:6; or PE o-38:7;	ME716385	1.02	0.98
PC 40:5; A	ME716343	1.03	0.97
PE p-34:2; or PE o-34:3;	ME716377	0.99	1.01
PC p-34:0; or PC o-34:1;	ME716350	1.00	1.00
PC 40:4;	ME716342	1.11	0.89
1_FA 16:0-d3; iSTD	ME716236	1.00	1.00
Cer-OS d41:3; Cer-OS d18:2/23:1;	ME716262	1.06	0.94
Ceramide d41:1;	ME716255	0.96	1.04
SM d30:1;	ME716396	0.95	1.05
PC p-42:5; or PC o-42:6;	ME716365	0.89	1.11
FA 20:2; (eicosadienoic acid)	ME716279	1.05	0.95
FA 11:0; (undecylic acid)	ME716264	1.00	1.00
1_SM d18:1/17:0; iSTD	ME716243	0.97	1.03
Ceramide d40:0;	ME716252	1.12	0.88
PE 36:3;	ME716371	1.08	0.92
FA 14:0; (myristic acid)	ME716267	1.03	0.97
FA 18:3; (linolenic acid)	ME716276	1.01	0.99
LPC 18:0; B	ME716303	0.97	1.03
SM d32:0;	ME716397	0.97	1.03
PI 38:3; PI 18:0-20:3;	ME716392	0.99	1.01
SM d34:2;	ME716403	0.98	1.02
PE p-38:4; or PE o-38:5;	ME716383	0.98	1.02
Ceramide d33:1;	ME716245	0.95	1.05
Ceramide d34:0;	ME716246	1.07	0.93
SM d42:3;	ME716423	0.96	1.04
SM d39:2;	ME716412	0.85	1.15
SM d39:1;	ME716411	0.94	1.06
PC p-42:4; or PC o-42:5;	ME716364	0.96	1.04
PC p-34:2; or PC o-34:3;	ME716353	0.96	1.04
1_MAG 17:0/0:0/0:0; iSTD	ME716239	0.99	1.01
PC 36:5; B	ME716333	1.02	0.98
PE 36:2;	ME716370	1.07	0.93
PC p-38:4; or PC o-38:5; B	ME716360	0.95	1.05
PE 36:1;	ME716369	1.01	0.99
PC 36:3; B	ME716329	1.02	0.98
FA 22:2; (docosadienoic acid)	ME716286	1.21	0.79
FA 15:1;	ME716270	1.08	0.92
FA 20:5; (eicosapentaenoic acid)	ME716283	1.01	0.99
SM d40:2; B	ME716415	0.90	1.10
PE p-38:5; or PE o-38:6;	ME716384	0.98	1.02
PE 38:4; B	ME716374	1.04	0.96
PC p-34:1; or PC o-34:2; B	ME716352	0.99	1.01
FA 26:0; (cerotic acid)	ME716290	1.03	0.97
PC 40:7;	ME716347	1.02	0.98
Ceramide d40:2;	ME716254	1.00	1.00
FA 17:0; (margaric acid)	ME716273	1.00	1.00
SM d33:1;	ME716400	0.93	1.07
Ceramide d42:1;	ME716257	0.98	1.02
FA 20:1; (eicosenoic acid)	ME716278	1.06	0.94
LPC 18:2;	ME716305	0.91	1.09
SM d43:2;	ME716425	0.94	1.06
PE 36:4;	ME716372	1.05	0.95
GlcCer d42:1;	ME716296	0.99	1.01
LPC 16:1;	ME716301	1.07	0.93
SM d36:3;	ME716407	0.88	1.12
PC p-44:4; or PC o-44:5;	ME716366	0.98	1.02
SM d36:2;	ME716406	0.93	1.07
SM d44:2;	ME716426	0.98	1.02
LPE 16:0;	ME716310	0.96	1.04
PC 38:5; A	ME716339	1.00	1.00
GlcCer d40:1;	ME716294	0.96	1.04
FA 24:0; (lignoceric acid)	ME716288	1.02	0.98
FA 20:3; (homo-gamma-linolenic acid)	ME716281	1.05	0.95
Ceramide d40:1;	ME716253	0.97	1.03
FA 12:0; (lauric acid)	ME716265	1.01	0.99
PC p-36:4; or PC o-36:5;	ME716357	0.97	1.03
PC 36:3; A	ME716328	1.00	1.00
LPC 16:0;	ME716300	0.98	1.02
GlcCerd14:14E/20:02OH;	ME716298	0.95	1.05
LPC 14:0;	ME716299	1.00	1.00
PC 33:1;	ME716317	1.01	0.99
1_Ceramide d18:1/17:0; iSTD	ME716234	1.00	1.00
SM d37:1;	ME716408	0.90	1.10
SM d34:1;	ME716402	0.98	1.02
PC o-32:0;	ME716349	0.98	1.02
PE 34:1;	ME716367	1.11	0.89
PC p-34:1; or PC o-34:2; A	ME716351	0.94	1.06
Ceramide d42:2; A	ME716258	1.01	0.99
PE p-40:5; or PE o-40:6;	ME716387	0.99	1.01
FA 22:6; (docosahexaenoic acid)	ME716287	1.05	0.95
LPC 22:5;	ME716309	0.94	1.06
PE 38:6;	ME716375	1.04	0.96
PC p-40:4; or PC o-40:5;	ME716363	0.96	1.04
PC 32:2;	ME716316	1.00	1.00
PC 38:6;	ME716341	1.01	0.99
PC 40:6; A	ME716345	1.01	0.99
SM d38:1;	ME716409	0.96	1.04
PC 32:1;	ME716315	1.16	0.84
PC 33:2;	ME716318	0.94	1.06
1_LPE 17:1; iSTD	ME716238	0.99	1.01
FA 20:3; (eicosatrienoic acid)	ME716280	1.08	0.92
PC 34:2;	ME716320	1.01	0.99
Ceramide d34:1;	ME716247	0.99	1.01
Ceramide d34:2;	ME716248	0.94	1.06
FA 8:0; (caprylic acid)	ME716292	0.79	1.21
GlcCer d42:2;	ME716297	1.00	1.00
PC 36:1;	ME716326	1.06	0.94
FA 22:0; (behenic acid)	ME716284	1.04	0.96
FA 20:4; (arachidonic acid)	ME716282	0.99	1.01
1_PG 17:0/17:0; iSTD	ME716242	1.00	1.00
PC 40:6; B	ME716346	1.04	0.96
SM d40:2; A	ME716414	0.98	1.02
PC 35:2;	ME716324	0.96	1.04
PC 34:1;	ME716319	1.04	0.96
PC 34:4;	ME716322	1.01	0.99
SM d36:0;	ME716404	1.04	0.96

Factors:

F1	liver_cancer_outcome:Case
F2	liver_cancer_outcome:Control

Data matrix