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 POSITIVE ION MODE (Analysis AN001309)
MetaboliteStructureF1F2F3
SM 38:4; [M]+@5.74ME2213853.920.540.49
lysoPC 18:1; [M+Na]+@1.90ME2215134.860.370.34
plasmenyl-PC 18:0; [M+Na]+@1.84ME2215354.860.370.34
TG 58:8; [M+NH4]+@10.30ME2214991.132.290.39
TG 58:1; [M+NH4]+@11.63ME2214900.992.200.22
SM 43:0; [M]+@8.68ME2214040.852.360.29
TG 54:1; [M+NH4]+@11.12ME2214690.872.280.33
TG 53:3; [M+NH4]+@10.61ME2214650.942.610.55
TG 58:2; [M+NH4]+@11.40ME2214940.962.500.33
TG 60:9; [M+NH4]+@10.41ME2215050.992.570.23
PC 36:5; [M+H]+@4.42ME2213300.522.240.25
TG 50:3; [M+Na]+@8.87ME2214430.252.030.44
DG 40:5; [M+NH4]+@8.12ME2212940.491.571.45
TG 50:1; [M+Na]+@9.35ME2214390.161.541.59
PC 35:3; [M+Na]+@6.13ME2213212.430.510.54
TG 60:11; [M+NH4]+@10.08ME2215022.190.500.55
SM 34:2; [M+Na]+@5.34ME2213762.100.700.20
lysoPC 23:0; [M+H]+@4.77ME2215222.110.430.27
TG 49:3; [M+NH4]+@10.09ME2214352.030.550.42
DG 36:3; [M+NH4]+@7.74ME2212871.380.421.20
PC 30:3; [M+H]+@5.32ME2213121.350.271.26
PC 36:4; [M+Na]+@6.11ME2213291.430.361.31
plasmenyl-PC 36:4; [M+Na]+@6.61ME2215401.400.291.32
PC 42:9; [M+H]+@6.83ME2213471.440.131.14
lysoPC 18:3; [M+Na]+@1.14ME2215161.290.111.20
PC 36:3; [M+Na]+@6.49ME2213261.320.121.26
PC 30:1; [M+Na]+@5.49ME2213111.700.211.32
PC 40:5; [M+Na]+@7.20ME2213401.470.071.46
lysoPC 15:0; [M+Na]+@1.29ME2215071.330.341.66
lysoPC 20:0; [M+Na]+@3.40ME2215191.220.271.77
PC 38:4; [M+Na]+@6.88ME2213341.090.091.78
PC 38:7; [M+Na]+@5.60ME2213381.160.061.72
PC 36:5; [M+Na]+@5.55ME2213311.180.031.46
PC 40:6; [M+Na]+@6.82ME2213411.220.131.58
PC 34:1; [M+Na]+@6.77ME2213170.880.461.70
PC 32:0; [M+Na]+@6.67ME2213130.950.511.56
SM 40:2; [M]+@7.24ME2213910.980.421.61
PC 40:10; [M+H]+@5.56ME2213390.970.251.54
PC 34:3; [M+Na]+@5.79ME2213191.050.271.66
PC 36:2; [M+Na]+@6.98ME2213241.000.271.72
PC 36:4; [M+H]+@8.59ME2213280.910.421.29
lysoPC 18:2; [M+Na]+@1.17ME2215151.120.341.50
PC 34:2; [M+Na]+@6.36ME2213181.180.291.47
plasmenyl-PC 20:0; [M+Na]+@2.60ME2215361.210.321.47
CE(18:3); [M+NH4]+@10.58ME2212721.200.481.32
PC 40:8; [M+Na]+@5.81ME2213431.190.521.34
CE(18:2); [M+NH4]+@10.76ME2212711.030.521.45
CE(20:4); [M+NH4]+@10.64ME2212741.110.441.41
SM 30:1; [M+Na]+@4.42ME2213631.080.501.39
TG 53:5; [M+NH4]+@10.22ME2214670.610.381.60
plasmenyl-PC 38:4; [M+Na]+@6.78ME2215410.790.232.05
lysoPC 22:5; [M+Na]+@1.52ME2215210.950.141.95
PC 36:6; [M+Na]+@5.51ME2213321.090.222.03
TG 40:1; [M+NH4]+@9.21ME2214160.941.910.47
TG 58:9; [M+NH4]+@10.22ME2215001.141.990.53
SM 43:1; [M]+@8.49ME2214061.001.690.54
TG 40:0; [M+NH4]+@9.51ME2214140.881.550.61
TG 48:1; [M+NH4]+@10.37ME2214280.941.540.55
TG 56:2; [M+NH4]+@11.14ME2214820.931.550.54
plasmenyl-PE 34:2; [M+H]+@6.78ME2215440.951.580.49
SM 42:0; [M+Na]+@8.48ME2213960.911.590.53
TG 40:0; [M+Na]+@9.54ME2214150.911.620.50
lysoPE 18:1; [M+H]+@1.85ME2215290.661.810.29
TG 58:3; [M+NH4]+@11.19ME2214950.731.740.29
plasmenyl-PE 36:1; [M+H]+@7.75ME2215450.891.720.42
TG 44:2; [M+NH4]+@9.59ME2214210.951.720.34
TG 51:1; [M+NH4]+@10.77ME2214461.001.670.33
SM 34:0; [M+Na]+@6.17ME2213720.811.920.33
plasmenyl-PE 34:1; [M+H]+@7.19ME2215430.961.820.24
SM 34:0; [M]+@6.13ME2213730.901.850.29
lysoPE 18:2; [M+H]+@1.49ME2215300.401.890.91
TG 42:1; [M+NH4]+@9.55ME2214190.661.910.54
TG 56:3; [M+NH4]+@10.93ME2214830.612.060.68
lysoPE 22:6; [M+H]+@1.25ME2215330.621.660.85
TG 54:0; [M+NH4]+@11.34ME2214680.561.710.87
SM 40:0; [M+Na]+@7.96ME2213880.821.540.83
PE 40:6; [M+H]+@6.95ME2213610.811.700.72
TG 58:6; [M+NH4]+@10.65ME2214980.751.700.80
plasmenyl-PE 38:2; [M+H]+@7.94ME2215500.781.710.59
plasmenyl-PE 42:6; [M+H]+@7.79ME2215580.711.620.64
SM 32:0; [M+Na]+@5.44ME2213651.491.130.07
plasmenyl-PE 38:3; [M+H]+@7.60ME2215511.121.150.69
PE 36:2; [M+H]+@7.02ME2213561.061.240.68
SM 43:1; [M+Na]+@8.45ME2214051.101.230.64
TG 46:1; [M+NH4]+@10.13ME2214241.111.220.64
DG 38:6; [M+NH4]+@7.33ME2212931.041.430.51
PE 36:5; [M+H]+@6.05ME2213581.071.320.58
TG 50:1; [M+NH4]+@10.63ME2214380.891.450.71
TG 52:1; [M+NH4]+@10.85ME2214530.991.400.62
TG 48:2; [M+NH4]+@10.17ME2214300.971.350.70
TG 54:2; [M+NH4]+@10.90ME2214700.941.350.73
TG 42:0; [M+Na]+@9.83ME2214181.011.330.66
TG 46:0; [M+NH4]+@10.39ME2214221.011.300.69
TG 48:0; [M+NH4]+@10.62ME2214271.001.290.71
PE 34:1; [M+H]+@6.89ME2213511.081.470.42
SM 42:0; [M]+@8.48ME2213971.141.490.37
TG 51:2; [M+NH4]+@10.56ME2214481.281.450.42
SM 32:0; [M]+@5.50ME2213661.221.380.41
TG 44:1; [M+NH4]+@9.85ME2214201.241.310.37
PS 36:1; [M+Na]+@6.73ME2213621.461.340.35
TG 54:7; [M+NH4]+@9.90ME2214761.371.250.25
SM 32:2; [M+Na]+@4.51ME2213681.361.260.35
SM 44:1; [M+Na]+@8.73ME2214091.311.230.36
PC 36:4; [M+H]+@4.43ME2213271.481.090.29
SM 32:1; [M+Na]+@5.17ME2213671.471.140.23
TG 56:6; [M+NH4]+@10.43ME2214871.461.140.45
DG 36:5; [M+NH4]+@7.04ME2212891.351.100.37
DG 38:3; [M+NH4]+@8.34ME2212901.371.120.44
DG 36:1; [M+NH4]+@8.55ME2212851.161.250.54
TG 42:0; [M+NH4]+@9.80ME2214171.171.190.59
TG 50:5; [M+NH4]+@9.81ME2214451.201.190.54
SM 44:1; [M]+@8.56ME2214101.271.220.41
TG 56:4; [M+NH4]+@10.77ME2214841.241.280.49
lysoPC 24:0; [M+H]+@5.19ME2215231.241.210.47
plasmenyl-PE 36:3; [M+H]+@7.03ME2215471.221.220.48
plasmenyl-PE 38:1; [M+H]+@8.26ME2215491.211.140.37
lysoPC 24:1; [M+H]+@4.33ME2215241.241.050.45
SM 45:1; [M]+@8.98ME2214131.230.970.40
PE 40:5; [M+H]+@7.11ME2213601.111.010.64
SM 44:2; [M]+@8.27ME2214121.241.020.66
TG 58:10; [M+NH4]+@10.00ME2214911.261.090.68
PE 35:1; [M+H]+@7.11ME2213531.341.020.53
TG 46:3; [M+NH4]+@9.68ME2214261.271.060.58
SM 34:1; [M]+@5.84ME2213751.241.100.59
TG 46:0; [M+Na]+@10.18ME2214231.261.090.56
plasmenyl-PE 36:2; [M+H]+@7.38ME2215461.321.080.50
TG 53:2; [M+NH4]+@10.81ME2214641.281.100.53
TG 51:4; [M+NH4]+@10.18ME2214501.210.950.81
TG 54:4; [M+NH4]+@10.50ME2214721.250.880.79
TG 52:4; [M+NH4]+@10.26ME2214581.240.820.86
SM 30:1; [M]+@4.44ME2213641.220.860.85
TG 52:3; [M+NH4]+@10.45ME2214561.230.860.84
DG 34:2; [M+NH4]+@7.66ME2212821.110.851.00
TG 54:6; [M+NH4]+@10.12ME2214741.110.801.05
TG 52:3; [M+Na]+@10.43ME2214571.130.811.01
TG 58:12; [M+NH4]+@9.69ME2214931.120.791.02
DG 36:4; [M+NH4]+@7.67ME2212881.130.890.93
TG 50:4; [M+NH4]+@10.02ME2214441.140.860.95
CE(20:3); [M+NH4]+@10.82ME2212731.150.800.98
plasmenyl-PE 40:5; [M+H]+@7.35ME2215561.180.820.94
TG 52:5; [M+NH4]+@10.11ME2214591.250.690.98
PC 33:2; [M+Na]+@6.05ME2213161.210.730.99
SM 37:1; [M]+@6.90ME2213811.210.750.97
DG 32:1; [M+NH4]+@7.54ME2212791.230.740.95
TG 54:5; [M+NH4]+@10.30ME2214731.240.760.92
SM 39:1; [M+Na]+@7.54ME2213861.280.710.91
TG 60:12; [M+Na]+@9.95ME2215041.230.650.89
lysoPE 20:4; [M+H]+@1.32ME2215320.871.221.09
SM 36:0; [M]+@6.85ME2213780.841.220.99
TG 52:0; [M+NH4]+@11.09ME2214510.811.211.05
PE 33:0; [M+H]+@7.12ME2213500.801.131.14
PE 36:0; [M+H]+@7.90ME2213540.861.041.10
TG 50:2; [M+Na]+@10.44ME2214410.871.121.06
PE 38:4; [M+H]+@7.06ME2213590.721.331.04
PE 34:2; [M+H]+@6.43ME2213520.841.290.92
TG 50:0; [M+NH4]+@10.86ME2214360.851.300.90
DG 38:5; [M+NH4]+@7.66ME2212920.990.831.18
IS D31-TAGME2212980.970.861.17
lysoPE 18:0; [M+Na]+@2.79ME2215280.950.971.13
DG 34:1; [M+NH4]+@8.06ME2212810.911.001.12
PC 36:0; [M+Na]+@7.79ME2213220.931.001.09
PC 36:3; [M+H]+@7.25ME2213250.981.011.01
DG 36:0; [M+NH4]+@8.94ME2212840.961.011.05
DG 30:0; [M+NH4]+@7.44ME2212770.951.001.06
IS SM 35:1;[M+H]+ME2213040.960.991.06
PE 32:0; [M+H]+@6.80ME2213491.000.901.09
IS MG 17:0; [M+NH4]+ME2213001.030.871.08
IS PC 34:0; [M+H]+ME2213011.050.861.07
lysoPE 16:0; [M+H]+@1.72ME2215251.040.861.05
lysoPC 19:0; [M+Na]+@2.93ME2215181.070.910.99
IS Ceramide;[M-H20]+ME2212971.030.941.02
SM 42:1; [M+Na]+@8.27ME2213981.030.951.01
SM 34:1; [M+Na]+@5.87ME2213741.000.951.04
SM 36:1; [M+Na]+@6.61ME2213791.010.931.06
TG 49:0; [M+NH4]+@10.74ME2214321.011.170.81
TG 55:7; [M+NH4]+@10.13ME2214790.981.240.78
TG 50:2; [M+NH4]+@10.43ME2214400.981.200.82
TG 54:3; [M+NH4]+@10.69ME2214710.981.220.81
TG 48:3; [M+NH4]+@9.94ME2214311.081.090.81
DG 32:2; [M+NH4]+@7.10ME2212801.061.120.80
plasmenyl-PC 36:3; [M+Na]+@6.68ME2215391.041.120.83
TG 52:2; [M+NH4]+@10.65ME2214551.001.130.87
TG 60:12; [M+NH4]+@9.94ME2215031.001.080.85
TG 50:3; [M+NH4]+@10.21ME2214421.080.970.92
CE(16:1); [M+NH4]+@10.73ME2212691.081.050.87
TG 52:1; [M+Na]+@10.53ME2214541.041.070.89
DG 36:2; [M+NH4]+@8.15ME2212861.041.040.91
lysoPE 18:0; [M+H]+@2.57ME2215271.041.040.91
CE(16:0); [M+NH4]+@11.01ME2212680.951.210.93
lysoPE 20:3; [M+H]+@1.68ME2215310.921.180.90
TG 58:4; [M+NH4]+@10.98ME2214960.931.140.92
CE(18:1); [M+NH4]+@10.98ME2212700.961.051.01
IS lysoPC 17:0;[M+H]+ME2213070.951.070.99
IS DG 34:1; [M+NH4]+ME2212990.951.100.96
plasmenyl-PE 36:4; [M+H]+@6.74ME2215480.991.090.92
DG 38:4; [M+NH4]+@8.14ME2212910.991.060.95
lysoPC 19:0; [M+H]+@2.93ME2215170.981.070.96
DG 40:7; [M+NH4]+@7.63ME2212950.870.881.31
IS CE 17:0; [M+NH4]+ME2212960.850.951.25
DG 32:0; [M+NH4]+@7.99ME2212780.870.931.24
IS TG 51:0; [M+NH4]+ME2213050.880.941.22
SM 38:2; [M+Na]+@6.76ME2213830.820.971.27
TG 53:0; [M+NH4]+@11.20ME2214620.820.931.30
PC 42:5; [M+H]+@8.11ME2213460.801.081.32
IS PS 34:0;[M+H]+ME2213030.701.111.29
TG 48:1; [M+Na]+@9.05ME2214290.681.081.36
TG 50:0; [M+Na]+@10.87ME2214370.661.081.37
MG 17:0; [M+Li]+@3.21ME2213081.070.711.20
lysoPE 17:0; [M+H]+@7.34ME2215261.030.711.26
TG 54:6; [M+Na]+@10.13ME2214751.050.691.24
IS d5-DAGME2213061.030.731.23
PE 36:4; [M+H]+@6.47ME2213571.010.761.23
lysoPE 24:0; [M+H]+@5.30ME2215341.070.681.37
IS PE 34:0; [M+H]+ME2213021.070.581.33
lysoPC 18:0; [M+H]+@2.39ME2215101.110.621.23
TG 52:5; [M+Na]+@10.07ME2214601.090.611.27
PC 36:1; [M+Na]+@7.37ME2213231.180.571.19
plasmenyl-PE 38:4; [M+H]+@7.32ME2215521.190.561.18
SM 40:2; [M+Na]+@7.31ME2213901.140.711.10
plasmenyl-PE 40:4; [M+H]+@7.72ME2215551.130.721.11
TG 58:11; [M+NH4]+@9.84ME2214921.130.711.11
lysoPC 22:4; [M+Na]+@1.87ME2215201.160.681.17
SM 42:2; [M+Na]+@7.78ME2213991.120.681.16
plasmenyl-PC 32:0; [M+Na]+@6.98ME2215370.930.541.40
SM 38:1; [M+Na]+@7.22ME2213820.990.621.40
TG 52:0; [M+Na]+@11.12ME2214520.930.761.33
plasmenyl-PC 34:1; [M+Na]+@7.09ME2215380.940.781.44
SM 40:1; [M+Na]+@7.76ME2213890.880.721.44
PC 28:0; [M+Na]+@5.28ME2213091.330.060.81
lysoPC 16:0; [M+Na]+@1.70ME2215091.380.62NA
PC 38:6; [M+H]+@5.15ME2213361.570.390.17
lysoPC 18:2; [M+H]+@1.39ME2215141.830.460.99
plasmenyl-PC 44:4; [M+Na]+@8.37ME2215421.590.330.89
CE(22:6); [M+NH4]+@10.58ME2212761.710.291.00
PC 32:2; [M+Na]+@5.66ME2213151.770.330.89
SM 42:5; [M]+@6.54ME2214031.930.280.67
SM 42:4; [M]+@7.05ME2214021.780.400.56
SM 38:2; [M]+@6.77ME2213841.800.470.72
SM 41:2; [M+Na]+@7.60ME2213951.840.500.66
TG 49:2; [M+NH4]+@10.31ME2214341.750.720.28
SM 33:1; [M+Na]+@5.53ME2213701.650.930.21
TG 56:1; [M+NH4]+@11.36ME2214811.660.840.25
PC 40:7; [M+H]+@5.30ME2213422.000.710.62
TG 51:3; [M+NH4]+@10.37ME2214491.800.740.46
TG 56:8; [M+NH4]+@10.09ME2214891.800.800.54
TG 58:5; [M+NH4]+@10.85ME2214971.430.650.49
TG 60:10; [M+NH4]+@10.25ME2215011.380.510.47
SM 32:2; [M]+@4.60ME2213691.550.800.41
SM 33:1; [M]+@5.70ME2213711.570.770.46
TG 46:2; [M+NH4]+@9.89ME2214251.501.000.50
SM 35:2; [M+Na]+@5.73ME2213771.480.890.47
DG 34:3; [M+NH4]+@7.23ME2212831.480.900.39
PC 34:4; [M+Na]+@5.54ME2213201.500.910.40
PC 44:4; [M+H]+@8.54ME2213481.570.950.65
SM 36:2; [M+Na]+@6.10ME2213801.420.830.61
TG 53:4; [M+NH4]+@10.41ME2214661.380.770.58
lysoPC 18:0; [M+Na]+@2.95ME2215111.500.810.69
TG 49:1; [M+NH4]+@10.53ME2214331.490.790.56
TG 53:1; [M+NH4]+@10.98ME2214631.480.710.55
SM 40:4; [M]+@6.36ME2213921.530.700.60
SM 43:2; [M]+@8.12ME2214081.490.700.65
SM 43:2; [M+Na]+@8.01ME2214071.470.760.62
PC 42:10; [M+Na]+@5.76ME2213451.420.760.66
SM 44:2; [M+Na]+@8.27ME2214111.440.730.68
SM 41:1; [M]+@8.06ME2213941.320.870.70
TG 51:1; [M+Na]+@10.77ME2214471.320.890.69
plasmenyl-PE 38:6; [M+H]+@6.65ME2215541.320.930.65
SM 41:1; [M+Na]+@8.02ME2213931.340.930.62
plasmenyl-PE 40:6; [M+H]+@7.24ME2215571.410.920.53
TG 56:5; [M+NH4]+@10.62ME2214851.410.910.53
TG 54:8; [M+NH4]+@9.77ME2214771.310.860.60
TG 55:3; [M+NH4]+@10.83ME2214781.310.860.51
PC 36:7; [M+H]+@5.38ME2213331.430.510.92
SM 39:2; [M]+@7.07ME2213871.440.490.93
lysoPC 16:0; [M+H]+@1.63ME2215081.340.461.08
TG 56:0; [M+NH4]+@11.61ME2214801.310.521.10
PC 30:0; [M+Na]+@6.02ME2213101.370.581.05
plasmenyl-PE 38:5; [M+H]+@7.03ME2215531.280.621.01
PC 38:5; [M+H]+@5.15ME2213351.680.710.76
lysoPC 14:0; [M+Na]+@1.14ME2215061.350.720.89
PC 32:1; [M+Na]+@6.13ME2213141.360.680.84
SM 42:2; [M]+@7.69ME2214001.420.620.82
TG 52:6; [M+Na]+@9.85ME2214611.460.660.88
SM 42:4; [M+Na]+@6.95ME2214011.600.450.75
PE 36:1; [M+H]+@7.47ME2213551.540.620.66
TG 56:7; [M+NH4]+@10.30ME2214881.600.620.65
CE(20:5); [M+NH4]+@10.47ME2212751.490.490.69
PC 40:9; [M+H]+@5.95ME2213441.520.560.75
PC 38:6; [M+Na]+@6.17ME2213371.480.590.78
lysoPC 18:1; [M+H]+@1.77ME2215121.480.610.75
TG 56:5; [M+Na]+@10.60ME2214861.480.610.75

Factors:

F1Diagnosis:IPMN | Dysplasia:LGD
F2Diagnosis:MCN | Dysplasia:LGD
F3Diagnosis:SCA | Dysplasia:N/A
Data matrix
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