Clustering data with hclust algorithm for Modification of metabolites by gut microbiota in response to diet (Study ST000343)

RP POSITIVE ION MODE (Analysis AN000555)
MetaboliteStructureF1F2F3F4
DG (36:2) [M+Na]+ME1184871.16NA1.050.69
DG (36:4) [M+NH4]+ME1184890.91NA1.140.91
TG (58:2) [M+NH4]+_TG (58:2) [M+Na]+ME1186140.830.491.221.34
TG (60:2) [M+Na]+_TG (60:2) [M+NH4]+ME1186190.750.491.191.44
TG (56:1) [M+NH4]+_TG (56:1) [M+Na]+ME1186040.790.501.161.44
TG (58:1) [M+NH4]+_TG (58:1) [M+Na]+ME1186120.760.491.161.47
TG (53:1) [M+NH4]+ME1185930.860.720.971.29
TG (55:1) [M+NH4]+ME1186010.730.701.051.32
LPC (22:5) [M+H]+ME1185041.411.030.940.63
PC (40:5) B [M+H]+ME1185351.431.030.930.62
CE (20:3) [M+NH4]+ME1184810.940.901.420.73
LPC (22:4) [M+H]+ME1185031.161.080.980.77
PC (p-34:1) or PC (o-34:2) A [M+H]+ME1185431.030.991.090.89
PC (p-36:4) or PC (o-36:5) [M+H]+_NOIDME1185461.160.891.070.86
SM (d42:2) [M+H]+ A_NOIDME1185671.180.861.050.88
Ceramide (d40:1) [M+Na]+ME1184841.130.891.060.90
SM (d42:3) [M+H]+_NOIDME1185681.120.901.050.91
PC (38:3) [M+H]+ME1185311.100.901.080.89
SM (d40:2) [M+H]+ AME1185631.110.871.100.90
PC (o-32:0) [M+H]+ME1185411.120.961.060.86
SM (d34:1) [M+H]+_NOIDME1185561.150.951.060.83
PC (p-40:4) or PC (o-40:5) [M+H]+ME1185491.110.931.030.92
LPC (18:0) [M+H]+_NOIDME1184961.090.921.060.91
PC (p-34:0) or PC (o-34:1) [M+H]+ME1185421.100.941.050.90
PC (p-38:3) or PC (o-38:4) [M+H]+ME1185471.100.971.040.88
SM (d33:1) [M+H]+ME1185551.090.991.040.88
SM (d34:2) [M+H]+_NOIDME1185571.100.961.030.90
PC (p-36:1) or PC (o-36:2) [M+H]+ME1185451.080.961.030.92
PC (p-42:4) or PC (o-42:5) [M+H]+ME1185501.080.961.030.91
SM (d36:1) [M+H]+_NOIDME1185581.170.931.020.87
SM (d36:2) [M+H]+ME1185591.150.960.980.90
SM (d38:1) [M+H]+ME1185601.130.961.010.90
SM (d40:1) [M+H]+ME1185621.120.971.010.88
LPC (18:2) [M+H]+_NOIDME1184980.990.841.141.00
LPC (20:1) [M+H]+ME1185000.980.831.151.00
PC (38:2) [M+H]+ME1185300.990.771.181.01
TG (58:9) [M+Na]+_TG (58:9) [M+NH4]+ME1186181.000.761.190.99
LPC (22:6) [M+H]+ME1185051.030.791.170.92
PC (34:0) [M+H]+ME1185151.070.851.140.91
PC (40:6) B [M+H]+_NOIDME1185361.070.811.130.95
PE (p-38:4) or PE (o-38:5) [M+H]+ME1185531.030.901.080.97
Ceramide (d42:1) [M+Na]+_Ceramide (d42:1) [M+H-H2O]+_Ceramide (d42:1) [M+H]+ME1184851.060.881.100.93
PC (38:6) A [M+H]+_NOIDME1185331.050.891.110.93
PC (32:0) [M+H]+ME1185101.060.921.080.92
PC (36:3) A [M+H]+ME1185251.070.901.090.92
PC (34:3) [M+H]+ME1185171.090.781.090.99
PC (32:2) [M+H]+ME1185121.040.851.071.01
PC (42:5) [M+H]+ME1185391.060.841.090.97
LPC (20:2) [M+H]+ME1185010.930.911.141.00
PC (36:2) [M+H]+_NOIDME1185240.950.921.091.02
PC (p-34:2) or PC (o-34:3) [M+H]+ME1185440.970.941.100.98
PC (35:3) [M+H]+ME1185210.860.931.111.09
PC (37:2) [M+H]+ME1185270.920.851.141.05
TG (58:10) [M+Na]+_TG (58:10) [M+NH4]+ME1186130.870.881.191.03
LPC (20:0) [M+H]+ME1184991.020.961.040.97
TG (52:3) [M+Na]+ME1185891.000.971.021.01
LPC (14:0) [M+H]+ME1184921.070.941.010.97
LPC (p-16:0) or LPC (o-16:1) [M+H]+ME1185071.060.980.980.99
PC (p-40:3) or PC (o-40:4) [M+H]+ME1185481.040.981.000.98
Acylcarnitine C18:1 [M+H]+ME1184771.041.021.000.95
LPC (16:0) [M+H]+_NOIDME1184941.051.001.010.95
LPC (p-18:0) or LPC (o-18:1) [M+H]+ME1185081.021.051.010.93
LPC (o-16:0) [M+H]+ME1185061.031.021.020.93
PC (p-42:5) or PC (o-42:6) [M+H]+ME1185511.031.031.020.93
Acylcarnitine C16:0 [M+H]+ME1184751.021.060.950.99
Acylcarnitine C18:0 [M+H]+ME1184760.981.080.980.98
SM (d42:1) [M+H]+_NOIDME1185660.991.041.010.96
SM (d44:2) [M+H]+ME1185710.981.041.010.98
PC (33:1) [M+H]+ME1185130.950.941.011.09
Ceramide (d18:1/23:0) [M+Na]+ME1184830.951.001.041.00
PC (34:2) [M+Na]+ME1185160.941.021.021.03
PC (35:4) [M+H]+ME1185220.911.031.001.07
PC (35:1) [M+H]+ME1185190.910.981.051.06
PC (37:4) [M+H]+ME1185280.891.011.051.05
PC (37:6) [M+H]+ME1185290.901.001.051.05
SM (d41:1) [M+H]+_NOIDME1185640.861.210.980.99
SM (d39:1) [M+H]+ME1185610.901.210.950.98
SM (d41:2) [M+H]+ME1185650.901.240.940.98
Acylcarnitine C18:2 [M+H]+ME1184780.951.190.980.94
CE (18:1) [M+Na]+_CE (18:1) [M+NH4]+ME1184790.971.140.990.94
CE (22:6) [M+Na]+_CE (22:6) [M+NH4]+ME1184820.941.121.020.95
SM (d43:1) [M+H]+ME1185691.031.110.950.93
SM (d43:2) [M+H]+ AME1185701.011.180.900.95
CE (18:2) [M+Na]+_CE (18:2) [M+NH4]+ME1184800.731.300.951.08
PC (35:2) [M+H]+ME1185200.771.031.081.13
TG (49:0) [M+NH4]+ME1185750.821.030.921.27
LPC (15:0) [M+H]+ME1184930.861.110.941.11
PC (31:0) [M+H]+ME1185090.781.110.941.19
PC (33:2) [M+H]+ME1185140.761.071.001.18
TG (56:8) [M+NH4]+ME1186110.990.441.281.16
TG (51:3) [M+NH4]+_TG (51:3) [M+Na]+ME1185861.040.561.181.11
TG (55:3) [M+Na]+_TG (55:3) [M+NH4]+ME1186031.050.531.211.12
TG (53:4) [M+NH4]+ME1185951.030.571.261.05
TG (53:3) [M+NH4]+_TG (53:3) [M+Na]+ME1185941.100.571.211.03
TG (56:7) [M+Na]+_TG (56:7) [M+NH4]+ME1186101.070.601.241.00
TG (52:4) [M+Na]+_TG (52:4) [M+NH4]+ME1185901.040.701.161.03
TG (54:8) [M+NH4]+ME1186001.070.661.141.06
TG (49:2) [M+Na]+_TG (49:2) [M+NH4]+ME1185771.110.581.081.14
TG (49:1) [M+NH4]+_TG (49:1) [M+Na]+ME1185761.110.671.041.10
TG (51:1) [M+NH4]+ME1185841.080.651.071.13
TG (49:3) [M+NH4]+ME1185780.930.621.061.06
TG (55:2) [M+NH4]+_TG (55:2) [M+Na]+ME1186020.910.501.061.23
TG (51:4) [M+NH4]+_TG (51:4) [M+Na]+ME1185870.890.641.201.18
TG (58:3) [M+Na]+_TG (58:3) [M+NH4]+ME1186150.860.601.251.20
TG (54:1) [M+Na]+_TG (54:1) [M+NH4]+ME1185960.990.621.131.18
TG (56:2) [M+Na]+_TG (56:2) [M+NH4]+ME1186050.970.561.191.18
TG (46:1) [M+Na]+_TG (46:1) [M+NH4]+ME1185721.560.540.990.81
TG (48:3) [M+Na]+_TG (48:3) [M+NH4]+ME1185741.380.461.130.91
TG (50:3) [M+NH4]+ME1185821.370.421.200.88
TG (52:2) [M+NH4]+ME1185881.360.541.130.86
TG (50:1) [M+NH4]+ME1185791.440.511.080.86
TG (50:2) [M+NH4]+ME1185801.470.481.110.83
TG (46:2) [M+NH4]+_TG (46:2) [M+Na]+ME1185731.150.560.930.92
DG (36:3) [M+NH4]+_DG (36:3) [M+Na]+ME1184881.150.421.250.91
TG (56:3) [M+NH4]+_TG (56:3) [M+Na]+ME1186061.190.461.280.95
TG (50:4) [M+NH4]+_TG (50:4) [M+Na]+ME1185831.200.471.211.00
TG (51:2) [M+Na]+_TG (51:2) [M+NH4]+ME1185851.210.541.141.01
TG (52:6) [M+NH4]+_TG (52:6) [M+Na]+ME1185921.200.541.160.99
PC (32:1) [M+H]+_NOIDME1185111.300.641.080.90
TG (50:3) [M+Na]+ME1185811.280.641.080.92
TG (54:5) [M+Na]+_TG (54:5) [M+NH4]+ME1185981.280.631.100.91
PC (36:5) A [M+H]+_NOIDME1185261.260.651.160.85
DG (38:5) [M+NH4]+ME1184901.240.571.170.86
TG (56:6) [M+NH4]+ME1186091.230.611.180.90
TG (58:6) [M+Na]+ME1186161.240.591.200.88
PC (38:5) A [M+H]+_NOIDME1185321.120.681.170.95
TG (54:6) [M+Na]+_TG (54:6) [M+NH4]+ME1185991.150.651.150.97
TG (58:8) [M+NH4]+ME1186171.130.641.160.99
Ceramide (d42:2) [M+H-H2O]+_Ceramide (d42:2) [M+Na]+ME1184861.180.671.150.92
TG (52:5) [M+Na]+_TG (52:5) [M+NH4]+ME1185911.190.611.170.93
TG (54:4) [M+NH4]+ME1185971.170.541.240.95
DG (38:6) [M+NH4]+ME1184911.120.591.290.91
PC (40:7) [M+H]+_NOIDME1185371.110.601.260.94
PC (42:6) [M+H]+ME1185401.260.871.030.78
LPC (16:1) [M+H]+ME1184951.230.731.050.93
PC (34:4) [M+H]+ME1185181.250.731.100.86
SM (d32:1) [M+H]+ME1185541.290.771.050.83
TG (56:5) [M+Na]+ME1186081.290.731.070.84
PE (p-36:4) or PE (o-36:5) [M+H]+ME1185521.120.841.130.88
LPC (18:1) [M+H]+ME1184971.150.751.130.91
LPC (20:4) [M+H]+_NOIDME1185021.150.791.120.89
PC (36:1) [M+H]+ME1185231.170.781.100.91
PC (38:7) [M+H]+ME1185341.160.711.210.85
PC (40:8) [M+H]+ME1185381.230.711.190.80

Factors:

F1Treatment:Control Diet
F2Treatment:Resistant Starch
F3Treatment:Whole Grain
F4Treatment:Whole Grain + Resistant Starch
Data matrix
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