Clustering data with hclust algorithm for (Study ST000688)

(Analysis AN001061)
MetaboliteStructureF1F2
PS 38:4; [M-H]-@6.05ME1918960.281.47
PS 40:6; [M-H]-@5.88ME1918970.561.28
FFA(20:0)ME1917800.651.23
plasmenyl-PE 42:4; [M-H]-@8.25ME1919250.661.22
FFA(22:3)ME1917870.831.11
plasmenyl-PE 40:3; [M-H]-@8.07ME1919220.851.10
PE 32:0; [M-H]-@6.78ME1918430.851.10
PC 42:10; [M-Ac-H]-@5.83ME1918410.851.10
lysoPE 22:5; [M-H]-@1.56ME1919050.851.10
FFA(24:1)ME1917890.851.10
lysoPE 20:2; [M-H]-@2.09ME1919020.851.10
N-(octadecanoyl)-sphinganine; [M-H]-@7.64ME1917970.841.10
plasmenyl-PE 40:5; [M-H]-@7.59ME1919230.841.10
FFA(16:0)ME1917760.871.09
plasmenyl-PE 32:1; [M-H]-@6.61ME1919080.871.08
plasmenyl-PE 40:6; [M-H]-@7.23ME1919240.871.08
FFA(18:0)ME1917770.901.07
PC 40:4; [M-Ac-H]-@7.47ME1918380.901.07
PI 40:5; [M-H]-@5.99ME1918940.891.07
plasmenyl-PE 42:6; [M-H]-@7.79ME1919270.891.07
PE 40:8; [M-H]-@5.97ME1918710.781.15
PE 40:4; [M-H]-@7.46ME1918680.811.12
plasmenyl-PE 42:5; [M-H]-@7.91ME1919260.791.14
FFA(24:3)ME1917910.791.13
lysoPE 22:6; [M-H]-@1.32ME1919060.801.13
FFA(20:2)ME1917820.711.19
FFA(20:4) Arachidonic acidME1917830.711.19
FFA(18:1)ME1917780.751.16
plasmenyl-PE 38:4; [M-H]-@7.26ME1919200.751.17
FFA(20:1)ME1917810.731.17
FFA(24:2)ME1917900.741.17
FFA(18:2)ME1917790.741.17
FFA(22:0)ME1917840.741.17
PG 34:1; [M-H]-@5.83ME1918731.130.92
PE 33:0; [M-H]-@7.05ME1918451.130.92
PC 37:2; [M-Ac-H]-@7.34ME1918281.130.92
PA 34:3; [M-H]-@5.77ME1918011.130.92
PC 35:2; [M-Ac-H]-@6.66ME1918211.130.92
PG 34:2; [M-H]-@5.45ME1918741.120.92
PG 33:0; [M-H]-@6.07ME1918721.120.92
PE 38:7; [M-H]-@5.75ME1918661.120.92
PC 36:5; [M-Ac-H]-@5.83ME1918261.120.92
PC 34:2; [M-Ac-H]-@6.30ME1918181.120.92
PC 36:2; [M-Ac-H]-@6.98ME1918241.120.92
PI 38:3; [M-H]-@6.07ME1918891.140.91
PE 36:5; [M-H]-@5.96ME1918591.140.91
PE 34:2; [M-H]-@6.46ME1918481.140.91
N-(docosanoyl)-sphing-4-enine; [M-H]-@8.43ME1917931.140.91
PA 36:3; [M-H]-@6.43ME1918031.140.91
CL 76:5; [M-2H](2-)@6.98ME1917671.160.90
PE 35:2; [M-H]-@6.73ME1918531.160.90
PE 36:3; [M-H]-@6.58ME1918581.150.90
PE 38:2; [M-H]-@6.94ME1918621.150.90
PE 35:4; [M-H]-@6.09ME1918541.070.95
CerP 32:1; [M-H]-@5.19ME1917691.070.95
lysoPE 17:0; [M-H]-@2.08ME1918991.070.95
PI 36:2; [M-H]-@5.88ME1918861.080.95
PI 35:1; [M-H]-@5.94ME1918831.080.95
PE 37:4; [M-H]-@6.66ME1918601.080.95
PE 35:1; [M-H]-@6.55ME1918521.080.95
PC 36:6; [M-Ac-H]-@5.54ME1918271.080.95
PC 33:2; [M-Ac-H]-@6.08ME1918161.080.95
PC 34:3; [M-Ac-H]-@5.95ME1918191.080.95
plasmenyl-PE 38:2; [M-H]-@7.94ME1919181.110.93
PC 36:3; [M-Ac-H]-@6.52ME1918251.110.93
PE 38:3; [M-H]-@7.26ME1918631.110.93
PI 34:2; [M-H]-@5.22ME1918821.090.94
PC 40:3; [M-Ac-H]-@7.82ME1918371.090.94
CL 66:1; [M-2H](2-)@6.26ME1917651.090.94
PA 34:2; [M-H]-@6.28ME1918001.090.94
PI 36:3; [M-H]-@5.38ME1918871.100.93
PE 34:4; [M-H]-@5.75ME1918501.100.93
CerP 34:0; [M-H]-@6.17ME1917701.100.93
PC 31:0; [M-Ac-H]-@6.31ME1918111.100.93
plasmenyl-PE 36:5; [M-H]-@6.30ME1919161.100.94
plasmenyl-PE 36:2; [M-H]-@7.35ME1919141.100.94
PC 38:2; [M-Ac-H]-@7.63ME1918311.100.94
PC 30:0; [M-Ac-H]-@6.04ME1918101.100.94
N-(tetracosanoyl)-sphing-4-enine; [M-H]-@8.88ME1917981.100.94
CerP 34:2; [M-H]-@5.40ME1917721.100.94
CerP 38:1; [M-H]-@7.29ME1917731.100.94
PC 38:6; [M-Ac-H]-@6.14ME1918340.961.03
FFA(22:1)ME1917850.961.03
PA 38:5; [M-H]-@6.05ME1918060.961.03
PI 38:4; [M-H]-@5.84ME1918900.951.03
PG 38:4; [M-H]-@6.05ME1918800.951.03
lysoPE 16:0; [M-H]-@1.66ME1918980.951.03
PE 34:1; [M-H]-@6.90ME1918470.951.03
plasmenyl-PE 40:2; [M-H]-@8.31ME1919210.971.02
PI 40:6; [M-H]-@5.80ME1918950.961.02
PC 37:6; [M-Ac-H]-@5.86ME1918300.961.02
PI 36:4; [M-H]-@5.22ME1918880.961.02
lysoPE 22:4; [M-H]-@1.90ME1919040.931.04
PC 35:1; [M-Ac-H]-@7.13ME1918200.941.04
plasmenyl-PE 36:0; [M-H]-@7.27ME1919120.941.04
lysoPE 18:1; [M-H]-@1.80ME1919000.911.06
plasmenyl-PE 38:3; [M-H]-@7.56ME1919190.911.06
FFA(22:2)ME1917860.931.05
lysoPE 20:1; [M-H]-@2.67ME1919010.921.05
PC 40:5; [M-Ac-H]-@7.11ME1918390.921.05
plasmenyl-PE 36:3; [M-H]-@6.93ME1919151.040.98
CerP 42:1; [M-H]-@8.41ME1917751.040.98
PA 36:4; [M-H]-@6.20ME1918041.040.98
plasmenyl-PE 34:3; [M-H]-@6.41ME1919111.030.98
PC 38:7; [M-Ac-H]-@5.60ME1918351.030.98
PA 40:7; [M-H]-@6.23ME1918081.030.98
PC 33:1; [M-Ac-H]-@6.56ME1918151.030.98
plasmenyl-PE 36:1; [M-H]-@7.78ME1919131.060.96
PG 36:3; [M-H]-@5.31ME1918791.060.96
PG 36:1; [M-H]-@6.44ME1918771.060.96
PE 34:3; [M-H]-@6.00ME1918491.060.96
PE 32:1; [M-H]-@6.27ME1918441.060.96
CL 78:5; [M-2H](2-)@6.51ME1917681.060.96
PC 38:3; [M-Ac-H]-@7.25ME1918321.060.96
plasmenyl-PE 38:1; [M-H]-@8.29ME1919171.050.97
PI 35:2; [M-H]-@5.58ME1918841.050.97
PG 36:0; [M-H]-@6.89ME1918761.050.97
PG 35:0; [M-H]-@6.62ME1918751.050.97
PE 35:0; [M-H]-@7.63ME1918511.050.97
lysoPE 20:3; [M-H]-@1.66ME1919031.050.97
PC 37:4; [M-Ac-H]-@6.62ME1918291.050.97
PE 40:6; [M-H]-@6.95ME1918691.040.97
plasmenyl-PE 34:0; [M-H]-@7.24ME1919091.040.97
PE 38:4; [M-H]-@7.03ME1918640.981.02
PI 34:1; [M-H]-@5.68ME1918810.981.01
PE 40:7; [M-H]-@6.43ME1918700.981.01
PE 38:1; [M-H]-@7.49ME1918610.981.01
PC 40:6; [M-Ac-H]-@6.77ME1918400.981.01
PC 38:5; [M-Ac-H]-@6.50ME1918330.981.01
PC 34:1; [M-Ac-H]-@6.81ME1918170.981.01
CerP 41:1; [M-H]-@8.14ME1917740.981.01
PA 34:1; [M-H]-@6.82ME1917990.981.01
PC 35:4; [M-Ac-H]-@6.08ME1918220.991.01
PI 38:5; [M-H]-@5.37ME1918910.991.01
PE 36:1; [M-H]-@7.48ME1918561.010.99
PC 39:6; [M-Ac-H]-@6.54ME1918361.010.99
PC 32:1; [M-Ac-H]-@6.12ME1918131.010.99
PC 36:1; [M-Ac-H]-@7.48ME1918231.010.99
N-(eicosanoyl)-sphing-4-enine; [M-H]-@7.95ME1917941.020.99
N-(hexadecanoyl)-sphing-4-enine; [M-H]-@6.87ME1917951.020.98
PI 36:1; [M-H]-@6.31ME1918850.991.00
PI 40:4; [M-H]-@6.34ME1918931.001.00
PE 38:5; [M-H]-@6.54ME1918651.001.00
PE 36:0; [M-H]-@7.90ME1918551.001.00
PC 32:0; [M-Ac-H]-@6.75ME1918121.001.00
N-(octadecanoyl)-sphing-4-enine; [M-H]-@7.46ME1917961.001.00
CerP 34:1; [M-H]-@5.94ME1917711.001.00
N-(15Z-tetracosenoyl)-sphing-4-enine; [M-H]-@8.45ME1917921.001.00
PI 38:6; [M-H]-@5.13ME1918921.011.00
PA 38:6; [M-H]-@6.21ME1918071.011.00
PA 36:1; [M-H]-@7.51ME1918021.011.00
PA 36:5; [M-H]-@5.97ME1918051.011.00
PC 26:0; [M-Ac-H]-@4.57ME1918091.370.76
PE 33:2; [M-H]-@6.11ME1918461.290.81
PC 32:2; [M-Ac-H]-@5.73ME1918141.270.82
PE 30:0; [M-H]-@5.40ME1918421.280.82
PE 36:2; [M-H]-@7.06ME1918571.230.85
CL 74:3; [M-2H](2-)@6.99ME1917661.210.86
FFA(24:0)ME1917881.220.86
PG 36:2; [M-H]-@6.02ME1918781.170.89
plasmenyl-PE 34:2; [M-H]-@6.75ME1919101.170.89
PE 40:2; [M-H]-@7.64ME1918671.190.88
plasmenyl-PE 32:0; [M-H]-@7.15ME1919071.180.88

Factors:

F1Type of MS:Benign MS
F2Type of MS:SPMS
Data matrix
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