Clustering data with hclust algorithm for (Study ST001269)

(Analysis AN002109)
MetaboliteStructureF1F2F3
Cer(36:3) 13C0 [+H]ME2967816.400.290.15
DAG(32:3) 13C1 [+H]ME2967833.910.340.21
DAG(32:3) 13C1 [+NH4]ME2968352.770.300.52
MAG(16:0) 13C0 [+NH4]ME2967772.880.730.26
TAG(52:0) 13C0 [+NH4]ME2966130.450.682.33
TAG(54:0) 13C0 [+NH4]ME2966180.370.232.56
TAG(54:0) 13C1 [+NH4]ME2967150.280.132.35
LysoPC(16:0) 13C1 [+Na]ME2960480.642.930.58
LysoPC(20:4) 13C1 [+H]ME2960620.512.620.37
CE(14:0) 13C1 [+NH4]ME2960750.771.950.39
LysoPC(16:1) 13C0 [+H]ME2960430.771.830.63
CE(15:0) 13C0 [+NH4]ME2960760.272.190.23
TAG(54:7) 13C1 [+Na]ME2968680.172.210.51
TAG(50:1) 13C2 [+K]ME2968201.54NA0.46
TAG(50:2) 13C2 [+K]ME2968191.63NA0.37
PE-pmg(34:9) 13C1 [+H]ME2968171.18NA0.63
DAG(36:3) 13C0 [+K]ME2968161.35NA0.65
LysoPA(24:1) 13C0 [+K]ME2968101.43NA0.57
FA(14:1) 13C0 [+K]ME2968000.52NA1.24
FA(26:2) 13C0 [+NH4]ME2968050.72NA1.28
MAG(18:0) 13C0 [+K]ME2968140.70NA1.30
PC(34:4) 13C0 [+H]ME2961891.16NA0.84
PE-pmg(28:3) 13C0 [+H]ME2970511.07NA0.93
TAG(50:3) 13C2 [+Na]ME2968620.76NA1.08
FA(18:2) 13C1 [+NH4]ME2967870.99NA1.01
TAG(44:3) 13C0 [+NH4]ME2966881.00NA1.00
DAG(24:3) 13C0 [+Na]ME2967250.90NA1.10
CE(19:2) 13C2 [+NH4]ME2970990.95NA1.05
CE(20:5) 13C1 [+Na]ME2968580.96NA1.08
TAG(52:3) 13C3 [+NH4]ME2963900.360.711.82
TAG(58:8) 13C1 [+NH4]ME2965010.490.691.98
TAG(52:0) 13C1 [+NH4]ME2966140.510.631.89
TAG(58:9) 13C0 [+NH4]ME2964980.480.711.88
TAG(51:2) 13C0 [+NH4]ME2963620.620.841.91
TAG(53:2) 13C0 [+NH4]ME2964110.550.851.94
TAG(53:3) 13C0 [+NH4]ME2964080.580.811.96
TAG(56:8) 13C2 [+NH4]ME2966740.660.651.86
TAG(56:8) 13C0 [+Na]ME2966750.580.711.90
DAG(34:2) 13C1 [+NH4]ME2966330.590.771.87
FA(24:2) 13C0 [+NH4]ME2968020.630.741.88
TAG(56:9) 13C0 [+NH4]ME2964650.570.601.62
TAG(58:9) 13C1 [+NH4]ME2964990.630.621.66
TAG(58:10) 13C0 [+NH4]ME2966800.420.821.62
TAG(54:1) 13C0 [+NH4]ME2964500.510.881.77
TAG(56:3) 13C0 [+NH4]ME2964900.540.831.81
TAG(54:2) 13C1 [+NH4]ME2964470.460.971.86
TAG(54:3) 13C1 [+Na]ME2964540.491.001.79
TAG(54:3) 13C2 [+NH4]ME2964420.500.941.80
TAG(56:4) 13C0 [+NH4]ME2964860.540.891.68
TAG(52:1) 13C1 [+NH4]ME2963980.540.971.69
TAG(54:4) 13C1 [+Na]ME2964480.510.981.71
TAG(54:2) 13C2 [+NH4]ME2964490.490.921.71
TAG(54:4) 13C2 [+NH4]ME2964370.500.951.74
TAG(44:2) 13C0 [+NH4]ME2965930.750.841.56
TAG(50:3) 13C0 [+Na]ME2963450.790.831.63
TAG(50:3) 13C1 [+NH4]ME2963370.780.821.59
TAG(50:5) 13C0 [+NH4]ME2963320.760.751.47
TAG(50:4) 13C1 [+NH4]ME2963350.830.771.57
TAG(51:3) 13C1 [+NH4]ME2963610.780.741.53
TAG(56:7) 13C1 [+Na]ME2964840.760.721.58
TAG(50:4) 13C0 [+NH4]ME2963340.750.771.81
TAG(50:3) 13C2 [+NH4]ME2963380.740.751.68
TAG(51:3) 13C0 [+NH4]ME2963600.730.781.74
TAG(51:2) 13C1 [+NH4]ME2963630.680.791.72
TAG(56:8) 13C1 [+NH4]ME2964710.680.771.68
TAG(49:1) 13C0 [+NH4]ME2963260.700.831.62
TAG(56:7) 13C0 [+NH4]ME2964730.700.821.64
TAG(50:2) 13C1 [+Na]ME2963530.700.911.63
TAG(48:1) 13C1 [+NH4]ME2962990.670.901.66
TAG(52:2) 13C2 [+Na]ME2964040.660.901.62
TAG(48:2) 13C1 [+NH4]ME2962940.690.871.68
TAG(52:2) 13C3 [+NH4]ME2963970.660.861.65
DAG(36:2) 13C1 [+NH4]ME2960810.610.881.75
TAG(56:5) 13C0 [+NH4]ME2964810.610.941.70
TAG(56:5) 13C1 [+NH4]ME2964830.600.931.71
TAG(56:7) 13C1 [+NH4]ME2964750.670.811.77
TAG(56:8) 13C0 [+NH4]ME2964690.650.811.77
TAG(56:6) 13C1 [+NH4]ME2964790.660.861.76
TAG(52:5) 13C1 [+NH4]ME2963770.660.881.71
TAG(50:2) 13C2 [+NH4]ME2963430.690.871.72
TAG(52:3) 13C2 [+Na]ME2964010.700.871.73
TAG(58:7) 13C1 [+NH4]ME2965030.540.741.49
TAG(53:4) 13C1 [+NH4]ME2964070.530.851.57
TAG(54:1) 13C1 [+NH4]ME2964530.540.861.61
TAG(58:8) 13C0 [+NH4]ME2965000.570.791.56
TAG(53:2) 13C1 [+NH4]ME2964130.590.801.59
TAG(53:4) 13C0 [+NH4]ME2964060.580.831.61
PE-pmg(38:4) 13C0 [+K]ME2968370.630.761.60
TAG(51:1) 13C0 [+NH4]ME2963650.620.841.68
TAG(53:3) 13C1 [+NH4]ME2964090.620.781.68
TAG(58:3) 13C1 [+NH4]ME2965090.350.981.13
TAG(58:6) 13C0 [+NH4]ME2965040.401.021.19
MAG(20:5) 13C1 [+Na]ME2967220.480.881.25
TAG(53:3) 13C0 [+Na]ME2966680.510.771.24
TAG(54:1) 13C2 [+NH4]ME2966720.330.751.42
TAG(53:3) 13C2 [+NH4]ME2964100.350.831.25
TAG(55:3) 13C0 [+NH4]ME2964610.400.891.36
TAG(55:4) 13C0 [+NH4]ME2964590.400.871.40
TAG(54:5) 13C0 [+Na]ME2964390.521.121.28
TAG(58:3) 13C0 [+NH4]ME2965080.431.071.27
DAG(34:2) 13C0 [+Na]ME2966350.471.161.21
Sulfatide(32:2) 13C0 [+NH4]ME2962080.461.091.18
TAG(48:3) 13C1 [+Na]ME2966510.581.081.13
TAG(50:2) 13C3 [+NH4]ME2966600.531.141.16
DAG(34:1) 13C0 [+Na]ME2966360.571.121.20
TAG(51:2) 13C0 [+Na]ME2966120.531.111.20
TAG(51:3) 13C0 [+Na]ME2966610.600.871.13
TAG(58:2) 13C0 [+NH4]ME2965100.640.921.18
TAG(52:1) 13C1 [+Na]ME2966150.581.011.33
TAG(44:0) 13C1 [+NH4]ME2965970.641.001.30
TAG(46:1) 13C0 [+Na]ME2966000.611.001.28
TAG(56:4) 13C1 [+NH4]ME2964880.541.011.28
DAG(34:1) 13C1 [+NH4]ME2966340.510.991.25
TAG(54:4) 13C2 [+Na]ME2964510.531.011.25
TAG(54:3) 13C2 [+Na]ME2964550.550.961.29
TAG(54:2) 13C1 [+Na]ME2964570.520.981.32
TAG(56:2) 13C1 [+NH4]ME2964950.500.971.32
DAG(36:2) 13C0 [+NH4]ME2960800.751.021.25
DAG(34:1) 13C0 [+NH4]ME2960730.741.041.18
MAG(20:3) 13C0 [+NH4]ME2968040.761.071.22
TAG(48:0) 13C1 [+NH4]ME2963030.621.091.23
TAG(46:0) 13C0 [+NH4]ME2962580.681.051.26
TAG(48:1) 13C1 [+Na]ME2963070.631.061.27
TAG(46:0) 13C1 [+NH4]ME2962610.651.071.26
TAG(52:4) 13C2 [+Na]ME2963950.651.061.25
TAG(48:0) 13C0 [+NH4]ME2963010.591.141.25
TAG(44:0) 13C0 [+NH4]ME2962120.591.081.27
TAG(50:1) 13C0 [+NH4]ME2963440.601.091.31
TAG(48:4) 13C0 [+NH4]ME2966490.651.001.13
TAG(48:4) 13C1 [+NH4]ME2966500.610.991.17
TAG(46:2) 13C1 [+NH4]ME2962500.641.011.23
DAG(36:3) 13C1 [+Na]ME2966380.651.011.20
TAG(48:0) 13C1 [+Na]ME2966060.630.991.21
TAG(56:5) 13C0 [+Na]ME2964910.640.961.25
TAG(50:2) 13C2 [+Na]ME2963540.690.991.23
TAG(52:5) 13C1 [+Na]ME2963850.681.001.26
TAG(56:7) 13C0 [+Na]ME2964820.770.821.38
TAG(50:5) 13C1 [+NH4]ME2963330.700.841.36
TAG(48:1) 13C0 [+Na]ME2963050.730.891.38
TAG(50:4) 13C0 [+Na]ME2963400.740.861.35
TAG(58:7) 13C0 [+NH4]ME2965020.550.841.34
TAG(51:1) 13C1 [+NH4]ME2963670.660.841.41
TAG(51:4) 13C0 [+NH4]ME2963580.640.871.36
TAG(53:1) 13C0 [+NH4]ME2966160.630.831.35
TAG(56:7) 13C2 [+NH4]ME2964770.630.831.36
FA(19:4) 13C0 [+H]ME2970110.680.871.29
TAG(49:1) 13C1 [+NH4]ME2963280.680.931.31
DAG(36:3) 13C0 [+Na]ME2960830.760.931.35
TAG(52:3) 13C0 [+Na]ME2963960.730.961.35
TAG(52:4) 13C1 [+Na]ME2963920.750.981.29
TAG(48:2) 13C0 [+Na]ME2963020.720.961.28
TAG(50:0) 13C0 [+Na]ME2966110.700.951.25
TAG(50:1) 13C1 [+NH4]ME2963460.591.061.44
TAG(46:1) 13C1 [+NH4]ME2962540.591.031.39
SM(36:1) 13C0 [+Na]ME2971060.611.001.39
TAG(52:4) 13C1 [+NH4]ME2963800.631.031.39
TAG(52:2) 13C0 [+NH4]ME2963870.621.021.40
TAG(52:4) 13C0 [+NH4]ME2963790.621.031.40
TAG(52:2) 13C2 [+NH4]ME2963930.630.991.46
TAG(50:0) 13C0 [+NH4]ME2963490.611.011.43
TAG(52:2) 13C1 [+NH4]ME2963910.611.011.43
TAG(52:6) 13C0 [+NH4]ME2963710.680.891.42
TAG(56:6) 13C0 [+Na]ME2964870.690.891.39
TAG(48:2) 13C1 [+Na]ME2963040.640.951.39
TAG(44:1) 13C0 [+NH4]ME2962070.670.921.40
TAG(44:1) 13C1 [+NH4]ME2965950.660.921.37
TAG(52:4) 13C0 [+Na]ME2963890.701.001.36
TAG(46:2) 13C0 [+NH4]ME2962480.650.981.37
TAG(48:2) 13C2 [+NH4]ME2962960.670.991.35
TAG(52:2) 13C0 [+Na]ME2964020.671.001.37
TAG(46:1) 13C0 [+NH4]ME2962520.660.981.40
TAG(50:2) 13C0 [+NH4]ME2963390.680.981.40
TAG(50:2) 13C1 [+NH4]ME2963410.680.981.40
TAG(52:2) 13C1 [+Na]ME2964030.690.971.42
TAG(52:5) 13C0 [+NH4]ME2963750.690.951.40
TAG(48:1) 13C2 [+NH4]ME2963000.660.961.43
TAG(52:5) 13C0 [+Na]ME2963830.670.991.44
TAG(52:4) 13C2 [+NH4]ME2963810.621.011.50
TAG(48:3) 13C1 [+NH4]ME2962910.620.971.51
TAG(52:3) 13C0 [+NH4]ME2963820.630.951.50
TAG(52:3) 13C1 [+NH4]ME2963840.640.951.49
TAG(48:1) 13C0 [+NH4]ME2962970.650.941.60
TAG(48:2) 13C0 [+NH4]ME2962930.660.941.57
TAG(50:1) 13C2 [+NH4]ME2963480.650.931.56
TAG(52:1) 13C2 [+NH4]ME2964000.570.931.57
TAG(50:0) 13C1 [+NH4]ME2963520.580.991.61
TAG(50:1) 13C0 [+Na]ME2963550.620.971.60
FA(16:2) 13C0 [+H]ME2965180.580.831.46
TAG(56:6) 13C2 [+NH4]ME2964800.640.831.50
TAG(46:0) 13C0 [+Na]ME2966020.600.901.49
TAG(52:6) 13C1 [+NH4]ME2963730.570.951.44
TAG(56:2) 13C0 [+NH4]ME2964940.550.901.47
TAG(54:3) 13C3 [+NH4]ME2964460.530.911.45
TAG(56:3) 13C1 [+NH4]ME2964920.540.901.44
LysoPC(22:1) 13C0 [+Na]ME2967410.830.961.56
TAG(50:3) 13C0 [+NH4]ME2963360.770.871.48
TAG(50:3) 13C1 [+Na]ME2963470.800.841.51
TAG(52:3) 13C2 [+NH4]ME2963860.680.921.50
TAG(50:1) 13C1 [+Na]ME2963570.690.951.45
TAG(52:3) 13C1 [+Na]ME2963990.700.941.48
TAG(56:6) 13C0 [+NH4]ME2964780.710.891.53
TAG(56:6) 13C1 [+Na]ME2964890.700.871.48
TAG(48:3) 13C0 [+NH4]ME2962900.730.901.46
TAG(50:2) 13C0 [+Na]ME2963500.730.921.50
MAG(20:5) 13C0 [+Na]ME2967210.321.051.43
TAG(54:3) 13C0 [+NH4]ME2964380.481.071.49
TAG(54:3) 13C1 [+NH4]ME2964400.481.071.49
TAG(54:4) 13C0 [+NH4]ME2964330.471.091.47
TAG(54:4) 13C1 [+NH4]ME2964350.471.091.47
TAG(52:1) 13C0 [+NH4]ME2963940.541.051.45
TAG(54:4) 13C0 [+Na]ME2964450.521.051.48
TAG(54:2) 13C0 [+Na]ME2964560.480.971.55
TAG(52:1) 13C0 [+Na]ME2964050.560.981.55
TAG(54:3) 13C0 [+Na]ME2964520.531.011.55
TAG(56:5) 13C1 [+Na]ME2966770.421.021.54
TAG(54:5) 13C1 [+Na]ME2964410.491.071.57
TAG(54:2) 13C0 [+NH4]ME2964430.471.031.59
TAG(54:5) 13C2 [+NH4]ME2964320.471.041.56
LysoPE-pmg(14:2) 13C0 [+H]ME2967230.780.781.13
TAG(52:6) 13C0 [+Na]ME2968640.720.551.18
TAG(50:4) 13C1 [+Na]ME2963420.770.711.34
TAG(51:4) 13C1 [+NH4]ME2963590.830.691.26
PE-pmg(26:1) 13C0 [+Na]ME2960720.650.741.31
TAG(56:8) 13C1 [+Na]ME2966760.630.651.36
CE(21:4) 13C0 [+NH4]ME2966411.240.781.32
PC-pmg(32:1) 13C0 [+H]ME2967510.931.031.26
PC(40:5) 13C2 [+H]ME2966560.900.981.39
PC-pmg(32:6) 13C0 [+K]ME2967840.900.941.42
MAG(26:2) 13C0 [+NH4]ME2965790.860.961.30
FA(14:1) 13C0 [+NH4]ME2965730.810.961.35
PC(38:5) 13C1 [+Na]ME2963120.831.001.35
PC-pmg(34:3) 13C1 [+H]ME2961781.090.841.20
PE(38:1) 13C0 [+H]ME2962221.080.861.21
FA(11:1) 13C1 [+NH4]ME2965571.030.851.23
MAG(24:4) 13C1 [+Na]ME2968081.010.871.25
CE(20:5) 13C0 [+NH4]ME2961300.990.891.16
LysoPE(20:4) 13C0 [+NH4]ME2965800.950.881.24
TAG(48:3) 13C2 [+NH4]ME2968500.940.871.22
TAG(44:2) 13C1 [+NH4]ME2966890.950.771.31
TAG(46:3) 13C1 [+NH4]ME2966970.980.741.33
PE-pmg(26:4) 13C0 [+NH4]ME2965820.900.881.32
TAG(46:3) 13C0 [+NH4]ME2965980.900.821.31
TAG(52:5) 13C1 [+K]ME2964141.491.180.49
TAG(54:3) 13C2 [+K]ME2968241.311.090.44
DAG(22:1) 13C0 [+NH4]ME2966321.441.020.31
MAG(16:2) 13C0 [+NH4]ME2967761.351.010.29
LysoPA(24:0) 13C1 [+K]ME2967801.240.750.77
PC-pmg(32:0) 13C3 [+H]ME2967521.260.770.64
FA(19:0) 13C0 [+NH4]ME2960221.420.800.83
FA(19:0) 13C1 [+NH4]ME2960231.450.800.81
TAG(56:6) 13C1 [+K]ME2968281.540.750.71
TAG(65:0) 13C0 [+Na]ME2967991.470.820.71
FA(15:0) 13C0 [+NH4]ME2967691.680.840.64
MAG(24:4) 13C0 [+H]ME2968061.460.820.50
TAG(48:1) 13C1 [+K]ME2967071.450.970.61
TAG(48:2) 13C1 [+K]ME2967041.450.990.57
CE(20:5) 13C0 [+Na]ME2968301.210.510.86
CE(19:3) 13C0 [+NH4]ME2961211.360.620.92
TAG(49:3) 13C0 [+NH4]ME2963151.270.670.90
CE(16:1) 13C1 [+Na]ME2965361.100.700.92
CE(19:2) 13C0 [+NH4]ME2970971.080.621.11
CE(19:2) 13C1 [+NH4]ME2970981.070.631.11
LysoPS(24:5) 13C0 [+NH4]ME2965830.850.991.22
15:0-18:1(d7) PE(33:1) 13C0 [+H] [iSTD]ME2965470.830.941.21
DAG(36:2) 13C0 [+Na]ME2960860.780.971.19
TAG(46:2) 13C0 [+Na]ME2966440.790.951.19
TAG(50:0) 13C2 [+NH4]ME2966090.830.891.26
MAG(18:0) 13C0 [+H]ME2966830.850.851.19
TAG(49:2) 13C0 [+NH4]ME2963190.810.901.15
TAG(49:2) 13C1 [+NH4]ME2963220.810.881.16
CE(20:4) 13C2 [+Na]ME2961450.950.951.22
HexCer(40:1) 13C0 [+H]ME2967980.920.961.17
PE-pmg(36:4) 13C0 [+NH4]ME2965910.900.961.17
CE(22:2) 13C1 [+NH4]ME2961620.940.941.17
MAG(18:1) 13C0 [+K]ME2968030.920.931.16
SM(34:1) 13C1 [+Na]ME2961650.931.031.12
15:0-18:1(d7) PG(33:1) 13C0 [+NH4] [iSTD]ME2965500.930.991.09
FA(16:2) 13C0 [+NH4]ME2965580.940.991.09
HexCer(38:4) 13C0 [+NH4]ME2965940.900.971.11
LysoPS(24:5) 13C1 [+NH4]ME2965840.880.991.13
MAG(24:4) 13C0 [+Na]ME2968070.900.981.14
LysoPE(22:4) 13C0 [+NH4]ME2965810.930.951.12
TAG(56:1) 13C0 [+NH4]ME2966790.890.931.10
CE(22:2) 13C0 [+NH4]ME2961610.901.011.09
15:0-18:1(d7) PC(33:1) 13C0 [+Na] [iSTD]ME2962230.871.021.09
PE(36:2) 13C1 [+H]ME2961810.891.031.11
PE(38:1) 13C1 [+H]ME2962240.891.081.08
PC-pmg(40:5) 13C0 [+H]ME2962950.901.061.05
FA(17:2) 13C0 [+NH4]ME2960080.891.051.07
MAG(18:0) 13C0 [+Na]ME2960320.881.041.06
PC(38:4) 13C1 [+Na]ME2963160.801.101.13
PIP(47:3) 13C0 [+H]ME2966210.821.061.13
TAG(46:0) 13C2 [+NH4]ME2966450.811.031.04
TAG(48:3) 13C0 [+Na]ME2962980.820.991.07
DAG(34:2) 13C0 [+NH4]ME2960710.821.001.14
FA(14:1) 13C0 [+Na]ME2959970.781.021.12
TAG(46:1) 13C2 [+NH4]ME2965990.771.001.08
PC(38:6) 13C0 [+Na]ME2963060.831.230.94
PE-pmg(38:4) 13C0 [+H]ME2961870.761.281.01
HexCer(40:4) 13C0 [+NH4]ME2970360.791.230.98
MAG(26:2) 13C1 [+NH4]ME2968090.771.250.99
PC(38:6) 13C1 [+Na]ME2963080.701.181.10
PC-pmg(36:4) 13C2 [+H]ME2967670.741.231.08
TAG(54:4) 13C0 [+K]ME2964700.641.200.95
PE(38:4) 13C1 [+H]ME2962130.701.251.01
TAG(48:0) 13C0 [+Na]ME2966050.661.201.03
CE(24:4) 13C0 [+NH4]ME2961850.791.100.90
TAG(54:4) 13C1 [+K]ME2964720.761.120.90
TAG(58:2) 13C1 [+NH4]ME2965110.731.051.02
TAG(54:3) 13C0 [+K]ME2964740.741.111.00
MAG(26:5) 13C0 [+H]ME2965260.731.131.01
TAG(50:1) 13C3 [+NH4]ME2963510.711.141.01
PC-pmg(38:5) 13C2 [+H]ME2962560.841.131.06
FA(18:3) 13C0 [+NH4]ME2967650.851.141.10
FA(21:2) 13C0 [+NH4]ME2967320.821.161.08
TAG(51:0) 13C0 [+NH4]ME2967100.821.101.03
LTB4-ETA 13C0 [+H]ME2968010.801.111.05
TAG(49:0) 13C0 [+NH4]ME2966070.781.091.05
PE(38:4) 13C0 [+H]ME2962100.781.151.07
PE-pmg(36:4) 13C1 [+NH4]ME2968120.801.131.01
PIP(47:3) 13C1 [+H]ME2967600.811.171.02
CE(22:6) 13C1 [+NH4]ME2961590.801.151.04
HexCer(38:4) 13C1 [+NH4]ME2970350.821.141.03
TAG(52:3) 13C0 [+K]ME2964190.831.120.97
FA(18:3) 13C1 [+H]ME2960060.861.150.97
FA(17:3) 13C0 [+H]ME2960000.831.160.98
FA(26:1) 13C0 [+H]ME2969010.851.151.00
PC(40:6) 13C2 [+H]ME2963230.831.141.00
HexCer(38:1) 13C0 [+H]ME2967970.801.090.98
PC(36:4) 13C1 [+Na]ME2962650.851.091.03
PE(40:4) 13C1 [+H]ME2962590.861.071.04
TAG(52:2) 13C1 [+K]ME2964260.841.081.01
TH-12-keto-LTB4 13C0 [+NH4]ME2960280.851.101.00
PC(36:4) 13C3 [+H]ME2962330.931.240.78
LysoPC(18:1) 13C0 [+H]ME2960510.911.190.80
PC-pmg(40:6) 13C0 [+H]ME2962920.951.180.83
SM(34:0) 13C0 [+H]ME2961531.021.160.78
PC(36:1) 13C2 [+H]ME2962460.971.130.87
FA(14:0) 13C0 [+H]ME2959950.941.120.84
LysoPC-pmg(12:1) 13C0 [+H]ME2960360.961.120.85
18:1(d7) LPC(18:1) 13C1 [+Na] [iSTD]ME2960650.991.150.85
PC(32:0) 13C0 [+H]ME2961741.001.110.81
LysoPC(18:2) 13C1 [+H]ME2960500.971.130.83
PC(34:1) 13C0 [+H]ME2961990.981.130.83
PC(34:1) 13C1 [+H]ME2962020.981.130.83
SM(42:2) 13C0 [+H]ME2962820.991.140.79
FA(22:3) 13C0 [+NH4]ME2960260.991.140.81
SM(34:1) 13C0 [+H]ME2961500.981.140.81
PC-pmg(38:6) 13C1 [+H]ME2962490.951.170.87
SM(32:1) 13C1 [+H]ME2961180.961.190.87
FA(16:3) 13C1 [+H]ME2967310.941.180.90
HexCer(30:2) 13C0 [+H]ME2968110.941.200.88
LysoPC(18:2) 13C0 [+H]ME2960490.911.140.87
TAG(52:2) 13C2 [+K]ME2964300.901.120.87
CE(18:1) 13C0 [+K]ME2961330.911.140.83
TAG(50:1) 13C0 [+K]ME2963760.911.130.85
FA(17:1) 13C2 [+NH4]ME2968320.941.060.80
SM(42:3) 13C1 [+H]ME2962791.071.070.81
FA(22:2) 13C0 [+NH4]ME2960271.071.110.77
MAG(18:1) 13C0 [+NH4]ME2965241.061.090.79
SM(42:2) 13C1 [+H]ME2962851.051.090.79
15:0-18:1(d7)-15:0 TG(33:1) 13C1 [+Na] [iSTD]ME2965550.971.090.87
PC-pmg(38:5) 13C0 [+H]ME2962510.991.080.88
15:0-18:1(d7)-15:0 TG(33:1) 13C0 [+Na] [iSTD]ME2965540.981.080.87
PC(34:1) 13C3 [+H]ME2962050.981.080.88
SM(42:2) 13C2 [+H]ME2962871.031.050.84
PC-pmg(38:4) 13C0 [+H]ME2962571.061.060.84
PC-pmg(38:5) 13C1 [+H]ME2962531.051.060.86
TAG(50:2) 13C1 [+K]ME2963741.061.060.86
FA(18:1) 13C0 [+NH4]ME2960151.041.060.87
PC(34:1) 13C2 [+H]ME2962031.031.070.86
PC(40:4) 13C0 [+H]ME2963291.031.050.88
PC-pmg(34:1) 13C0 [+H]ME2961841.041.040.87
LysoPC(18:0) 13C1 [+H]ME2960541.041.080.84
18:1(d7) MG(18:1) 13C0 [+Na] [iSTD]ME2960331.031.090.83
PC-pmg(38:4) 13C1 [+H]ME2962601.031.090.83
SM(34:1) 13C1 [+H]ME2961511.011.090.84
SM(42:3) 13C0 [+H]ME2962760.991.090.85
CE(20:4) 13C0 [+Na]ME2961431.031.000.97
PC-pmg(36:5) 13C0 [+H]ME2962061.021.000.97
DAG(38:11) 13C1 [+NH4]ME2960931.021.010.97
SM(40:2) 13C0 [+H]ME2962351.021.010.96
CE(16:0) 13C1 [+Na]ME2960921.041.000.96
Polydimethylsiloxane(C18H54O9Si9) 13C1 [+NH4]ME2965401.031.010.96
Polydimethylsiloxane(C22H66O11Si11) 13C0 [+NH4]ME2965531.031.010.95
PC(34:2) 13C3 [+H]ME2962011.030.990.98
TAG(52:3) 13C2 [+K]ME2964231.050.990.98
TAG(50:2) 13C0 [+K]ME2963721.060.990.96
CE(16:0) 13C0 [+Na]ME2960901.071.000.94
CE(20:4) 13C1 [+Na]ME2961441.070.990.95
FA(18:2) 13C0 [+NH4]ME2960141.031.020.94
PS(26:0) 13C1 [+H]ME2965881.041.000.94
PC(36:3) 13C0 [+H]ME2962321.051.010.92
PC(40:5) 13C0 [+H]ME2963241.051.010.93
SM(38:1) 13C0 [+H]ME2961971.051.010.93
FA(18:1) 13C1 [+NH4]ME2967711.101.000.91
SM(40:1) 13C1 [+H]ME2962431.090.990.92
CE(18:1) 13C1 [+Na]ME2961141.090.980.94
PC(38:3) 13C0 [+H]ME2962781.080.980.93
Cer-1P(44:2) 13C0 [+NH4]ME2962211.100.960.93
PC-pmg(34:3) 13C0 [+H]ME2961771.100.970.94
FA(16:1) 13C0 [+NH4]ME2960021.081.020.88
PC(36:1) 13C1 [+H]ME2962451.071.020.89
PC(38:3) 13C2 [+H]ME2962831.071.020.90
PC(36:3) 13C1 [+H]ME2962341.071.010.91
FA(20:0) 13C0 [+NH4]ME2970071.091.010.90
PC-pmg(34:2) 13C0 [+H]ME2961801.081.010.90
PC-pmg(36:4) 13C0 [+H]ME2962111.041.030.91
SM(40:2) 13C1 [+H]ME2962381.041.030.91
PC(32:0) 13C1 [+H]ME2961751.051.020.90
PC-pmg(36:3) 13C0 [+H]ME2962161.051.020.91
CE(20:3) 13C0 [+NH4]ME2961391.051.040.89
CE(22:1) 13C0 [+NH4]ME2961631.061.040.91
CE(20:4) 13C3 [+NH4]ME2961401.121.050.89
SM(40:1) 13C0 [+H]ME2962401.111.000.89
PC(36:3) 13C2 [+H]ME2962361.101.010.88
PC-pmg(36:4) 13C1 [+H]ME2962141.111.020.87
FA(19:2) 13C0 [+NH4]ME2960190.941.041.01
PE(40:4) 13C0 [+H]ME2962550.931.041.02
FA(12:1) 13C0 [+H]ME2959930.951.041.00
18:1(d7) Chol Ester(18:1) 13C0 [+Na] [iSTD]ME2961220.951.031.02
18:1(d7) Chol Ester(18:1) 13C1 [+NH4] [iSTD]ME2961190.951.031.02
18:1(d7) Chol Ester(18:1) 13C2 [+NH4] [iSTD]ME2961200.951.031.01
18:1(d7) Chol Ester(18:1) 13C0 [+NH4] [iSTD]ME2961170.951.031.01
18:1(d7) Chol Ester(18:1) 13C1 [+Na] [iSTD]ME2961230.951.031.01
PC(34:2) 13C0 [+Na]ME2962270.961.021.01
PE-pmg(38:4) 13C0 [+NH4]ME2965960.951.021.01
SM(38:1) 13C1 [+H]ME2962000.951.021.04
Polydimethylsiloxane(C12H36O6Si6) 13C0 [+NH4]ME2960410.941.021.03
Polydimethylsiloxane(C12H36O6Si6) 13C1 [+NH4]ME2960420.941.031.03
FA(14:2) 13C0 [+H]ME2965150.931.011.04
DAG(36:4) 13C0 [+NH4]ME2960770.921.021.06
Polydimethylsiloxane(C12H36O6Si6) 13C0 [+H]ME2960380.931.021.05
Polydimethylsiloxane(C12H36O6Si6) 13C1 [+H]ME2960390.931.021.05
PE(40:2) 13C0 [+H]ME2970900.941.071.04
CE(20:4) 13C1 [+NH4]ME2961370.891.071.02
PC(38:4) 13C0 [+Na]ME2963140.921.041.03
SM(36:1) 13C1 [+H]ME2961720.911.051.02
FA(12:1) 13C0 [+NH4]ME2967300.991.040.98
TAG(46:2) 13C2 [+NH4]ME2966981.001.030.98
PS-pmg(30:4) 13C0 [+H]ME2961261.001.020.98
SM(34:2) 13C0 [+H]ME2961471.001.010.98
Polydimethylsiloxane(C18H54O9Si9) 13C0 [+NH4]ME2961251.001.020.96
18:1(d7) LPE(18:1) 13C0 [+H] [iSTD]ME2965271.001.030.97
FA(13:1) 13C0 [+H]ME2965141.001.020.97
Polydimethylsiloxane(C16H48O8Si8) 13C0 [+K]ME2965340.991.030.97
TAG(50:3) 13C0 [+K]ME2963690.991.020.97
FA(11:1) 13C0 [+H]ME2965130.981.040.97
15:0-18:1(d7)-15:0 TG(33:1) 13C2 [+NH4] [iSTD]ME2963130.971.040.97
Cer-1P(38:2) 13C0 [+NH4]ME2961320.971.050.97
Polydimethylsiloxane(C16H48O8Si8) 13C0 [+NH4]ME2960700.971.030.99
SM(38:2) 13C0 [+H]ME2961940.971.030.99
18:1(d7) Chol Ester(18:1) 13C3 [+NH4] [iSTD]ME2965380.971.030.98
CE(18:2) 13C2 [+K]ME2961310.961.030.98
CE(18:1) 13C1 [+NH4]ME2961040.981.021.00
CE(18:1) 13C0 [+NH4]ME2961010.981.020.99
PC(34:0) 13C0 [+H]ME2962040.981.020.99
FA(15:1) 13C0 [+H]ME2965170.991.021.00
PE(40:3) 13C0 [+H]ME2962620.991.020.99
MAG(24:5) 13C1 [+Na]ME2965690.970.981.05
SM(36:2) 13C1 [+H]ME2961680.961.001.05
Polydimethylsiloxane(C14H42O7Si7) 13C0 [+NH4]ME2960570.961.011.02
Polydimethylsiloxane(C14H42O7Si7) 13C1 [+NH4]ME2960580.971.011.02
CE(18:1) 13C1 [+K]ME2961350.981.011.01
FA(17:1) 13C0 [+H]ME2965210.981.001.01
HexCer(36:1) 13C0 [+H]ME2967530.981.001.02
PS-pmg(30:4) 13C1 [+H]ME2961270.981.001.03
FA(16:3) 13C0 [+H]ME2959981.000.991.02
Polydimethylsiloxane(C20H60O10Si10) 13C1 [+NH4]ME2966870.990.991.02
Polydimethylsiloxane(C20H60O10Si10) 13C0 [+NH4]ME2965491.010.991.01
PC(36:2) 13C0 [+H]ME2962371.010.991.00
PC(36:2) 13C1 [+H]ME2962391.010.991.00
CE(16:0) 13C2 [+NH4]ME2960880.961.070.94
CE(16:0) 13C0 [+NH4]ME2960850.961.070.94
CE(16:0) 13C1 [+NH4]ME2960870.961.070.94
18:1(d7) LPC(18:1) 13C0 [+Na] [iSTD]ME2960640.951.070.95
15:0-18:1(d7) PC(33:1) 13C1 [+Na] [iSTD]ME2962250.951.080.94
PC-pmg(34:1) 13C1 [+H]ME2967540.951.080.94
CE(20:4) 13C2 [+NH4]ME2961380.951.070.94
SM(36:2) 13C0 [+H]ME2961660.951.070.94
FA(14:1) 13C0 [+H]ME2965160.961.060.95
15:0-18:1(d7)-15:0 TG(33:1) 13C0 [+NH4] [iSTD]ME2963090.951.060.97
15:0-18:1(d7)-15:0 TG(33:1) 13C1 [+NH4] [iSTD]ME2963110.951.060.96
PC(38:5) 13C1 [+H]ME2962710.951.060.96
FA(19:1) 13C0 [+NH4]ME2960200.981.070.92
FA(19:1) 13C1 [+NH4]ME2960210.971.070.93
PC(38:4) 13C2 [+H]ME2962770.971.060.93
15:0-18:1(d7) PC(33:1) 13C0 [+H] [iSTD]ME2961880.951.100.91
15:0-18:1(d7) PC(33:1) 13C1 [+H] [iSTD]ME2961900.951.100.91
MAG(16:0) 13C0 [+Na]ME2965230.971.090.93
FA(17:1) 13C0 [+NH4]ME2960090.961.080.93
18:1(d7) LPC(18:1) 13C1 [+H] [iSTD]ME2960560.961.080.92
PC(40:6) 13C1 [+H]ME2963200.961.080.92
18:1(d7) LPC(18:1) 13C0 [+H] [iSTD]ME2960550.951.090.92
15:0-18:1(d7) PC(33:1) 13C2 [+H] [iSTD]ME2961910.961.090.91
FA(17:1) 13C1 [+NH4]ME2960100.961.090.92
SM(42:1) 13C1 [+H]ME2962891.001.070.89
FA(16:0) 13C0 [+H]ME2959991.001.060.91
PC(34:2) 13C0 [+H]ME2961951.001.060.91
FA(18:0) 13C0 [+NH4]ME2960171.011.040.93
PC(34:2) 13C2 [+H]ME2961981.011.040.93
15:0-18:1(d7) DG(33:1) 13C0 [+Na] [iSTD]ME2965321.031.050.92
PC(36:1) 13C0 [+H]ME2962421.021.040.91
PC(40:4) 13C1 [+H]ME2963301.021.040.92
PC(34:2) 13C1 [+H]ME2961960.991.050.94
PS(26:0) 13C0 [+H]ME2965871.001.030.95
PC(36:4) 13C0 [+H]ME2962290.881.150.92
PE(36:6) 13C0 [+K]ME2967850.901.140.96
PE(36:1) 13C1 [+H]ME2961860.951.130.95
15:0-18:1(d7) PA(33:1) 13C0 [+NH4] [iSTD]ME2965410.901.080.91
Cer(34:0) 13C1 [+H]ME2965290.921.080.92
TAG(49:0) 13C1 [+NH4]ME2966080.941.080.91
PC(36:4) 13C1 [+H]ME2962300.901.130.91
PC(36:4) 13C2 [+H]ME2962310.921.120.91
Cer(32:0) 13C0 [+H]ME2960460.921.110.92
Cer(34:0) 13C0 [+H]ME2960590.911.120.92
FA(20:1) 13C0 [+NH4]ME2960240.911.120.92
TAG(52:3) 13C1 [+K]ME2964210.891.090.94
LysoPC(18:0) 13C0 [+H]ME2960530.901.110.93
PC(36:4) 13C0 [+Na]ME2962640.901.110.94
MAG(24:5) 13C0 [+H]ME2960370.921.100.94
PC(38:4) 13C0 [+H]ME2962740.921.100.93
CE(18:2) 13C0 [+K]ME2961280.911.100.95
SM(36:1) 13C0 [+H]ME2961700.911.100.94
PC(38:4) 13C1 [+H]ME2962750.911.090.96
FA(17:0) 13C0 [+H]ME2960010.931.090.96
PC-pmg(38:6) 13C0 [+H]ME2962470.921.100.97
SM(42:2) 13C0 [+Na]ME2963210.931.090.98
18:1(d7) Chol Ester(18:1) 13C2 [+Na] [iSTD]ME2965390.931.070.98
CE(22:6) 13C0 [+NH4]ME2961580.921.070.99
PC(38:5) 13C0 [+H]ME2962700.911.080.98
PC(40:5) 13C1 [+H]ME2963270.921.080.97
15:0-18:1(d7) DG(33:1) 13C0 [+NH4] [iSTD]ME2960690.951.050.98
CE(20:3) 13C1 [+NH4]ME2961410.961.050.98
MAG(24:5) 13C0 [+Na]ME2965250.941.060.98
PC-pmg(36:5) 13C1 [+H]ME2962090.941.060.99
Polydimethylsiloxane(C16H48O8Si8) 13C1 [+NH4]ME2965330.941.050.99
PC(38:6) 13C0 [+H]ME2962670.941.050.98
PC(38:6) 13C1 [+H]ME2962680.931.050.98
PC(40:6) 13C0 [+H]ME2963180.911.071.00
FA(24:1) 13C0 [+H]ME2968980.921.040.99
FA(18:3) 13C0 [+H]ME2960050.931.051.00
MAG(18:3) 13C0 [+NH4]ME2960290.921.061.00
FA(18:4) 13C0 [+H]ME2960040.881.110.96
CE(18:2) 13C1 [+K]ME2961290.881.100.99
CE(20:4) 13C0 [+NH4]ME2961360.891.090.99
PC(38:5) 13C0 [+Na]ME2963100.891.090.99
TAG(54:3) 13C1 [+K]ME2964760.851.050.97
FA(18:4) 13C0 [+NH4]ME2967860.891.060.97
TAG(52:4) 13C1 [+K]ME2964170.881.060.96
PC(34:2) 13C1 [+Na]ME2962281.030.971.02
SM(34:1) 13C2 [+H]ME2961521.030.981.01
CE(18:1) 13C2 [+NH4]ME2961061.050.961.01
DAG(38:11) 13C0 [+NH4]ME2960911.040.961.03
PC(30:0) 13C0 [+H]ME2961541.080.940.96
CE(18:1) 13C0 [+Na]ME2961131.100.950.97
FA(18:1) 13C0 [+H]ME2960071.090.940.98
FA(18:2) 13C0 [+H]ME2965611.080.970.99
FA(15:1) 13C0 [+NH4]ME2965201.080.960.97
PC-pmg(34:2) 13C1 [+H]ME2961821.070.960.97
PIP(47:3) 13C2 [+H]ME2968571.070.911.01
PC(36:2) 13C2 [+H]ME2962411.070.951.00
PE-pmg(38:5) 13C0 [+K]ME2970321.050.931.00
PE-pmg(44:8) 13C0 [+H]ME2966041.110.931.00
SM(34:1) 13C0 [+Na]ME2961641.120.940.99
FA(20:1) 13C0 [+H]ME2965221.150.900.99
CE(16:1) 13C0 [+Na]ME2960891.120.900.98
PE(34:9) 13C0 [+H]ME2961481.130.920.98
PA(44:1) 13C0 [+H]ME2967021.070.871.05
CE(18:2) 13C2 [+Na]ME2961121.120.911.03
CE(18:1) 13C2 [+Na]ME2961161.100.891.04
CE(18:2) 13C3 [+NH4]ME2961031.100.911.04
PC(38:2) 13C1 [+H]ME2962861.070.871.12
PE(38:2) 13C1 [+H]ME2962201.080.881.10
18:1(d7) Chol Ester(18:1) 13C0 [+K] [iSTD]ME2965431.060.891.15
PC-pmg(36:3) 13C1 [+H]ME2962171.100.871.15
PE(36:1) 13C0 [+H]ME2961831.010.941.10
SM(34:2) 13C1 [+H]ME2961491.010.941.12
LysoPE(16:1) 13C0 [+H]ME2960401.000.941.07
CE(18:2) 13C0 [+NH4]ME2960981.000.951.08
CE(18:2) 13C1 [+NH4]ME2960990.990.951.08
FA(16:0) 13C0 [+NH4]ME2960031.000.961.06
MAG(24:5) 13C1 [+H]ME2968150.990.961.05
PE(38:3) 13C0 [+H]ME2962151.000.971.07
PS-pmg(26:1) 13C0 [+H]ME2965850.990.981.06
PE-pmg(36:6) 13C0 [+K]ME2965921.010.901.11
PC(36:2) 13C3 [+H]ME2962441.040.891.12
CE(20:5) 13C1 [+NH4]ME2961341.040.901.09
FA(11:1) 13C0 [+NH4]ME2959941.040.901.10
TAG(50:4) 13C0 [+K]ME2963661.030.931.09
CE(18:2) 13C2 [+NH4]ME2961001.020.941.07
PE(38:2) 13C0 [+H]ME2962181.040.941.06
PE(36:2) 13C0 [+H]ME2961791.070.911.08
CE(18:2) 13C1 [+Na]ME2961111.060.941.04
CE(18:2) 13C0 [+Na]ME2961081.060.921.05
SM(32:1) 13C0 [+H]ME2961151.050.921.06
CE(18:3) 13C0 [+NH4]ME2960961.280.821.02
MAG(24:2) 13C0 [+NH4]ME2965771.240.851.05
CE(18:1) 13C3 [+NH4]ME2961091.180.900.96
CE(18:3) 13C1 [+NH4]ME2960971.170.880.99
FA(16:1) 13C0 [+H]ME2965191.180.880.98
Sphingosine 13C0 [+Na]ME2965621.200.840.96
FA(16:1) 13C1 [+NH4]ME2965591.240.880.98
FA(20:2) 13C0 [+H]ME2960181.230.850.99
CE(18:3) 13C0 [+Na]ME2961021.190.771.04
DAG(36:3) 13C0 [+NH4]ME2960781.150.871.07
PE-pmg(34:9) 13C0 [+H]ME2965421.190.871.05
CE(19:1) 13C0 [+NH4]ME2961241.210.831.10
LysoPA(24:0) 13C0 [+K]ME2960661.160.831.09
18:1(d7) Chol Ester(18:1) 13C1 [+K] [iSTD]ME2965451.130.831.15
PE-pmg(44:8) 13C1 [+H]ME2967561.120.791.09
CE(16:0) 13C0 [+K]ME2965371.011.030.62
18:1(d7) MG(18:1) 13C1 [+Na] [iSTD]ME2967351.001.110.72
SM(42:2) 13C1 [+Na]ME2963251.031.060.72
FA(22:2) 13C1 [+NH4]ME2965651.110.960.58
15:0-18:1(d7) PC(33:1) 13C3 [+H] [iSTD]ME2965481.101.060.70
FA(19:2) 13C0 [+H]ME2966281.161.070.65
LysoPA(20:1) 13C0 [+NH4]ME2965781.151.060.61
FA(14:2) 13C0 [+NH4]ME2959961.261.030.63
TAG(50:1) 13C1 [+K]ME2963781.231.140.67
Polydimethylsiloxane(C34H102O17Si17) 13C0 [+NH4]ME2966241.180.900.84
PC(32:2) 13C0 [+H]ME2961671.160.910.92
PC(38:2) 13C0 [+H]ME2962841.160.930.92
CE(18:3) 13C1 [+Na]ME2961051.160.870.90
PC(32:2) 13C1 [+H]ME2961691.180.880.88
FA(12:1) 13C1 [+H]ME2968381.190.960.97
15:0-18:1(d7)-15:0 TG(33:1) 13C0 [+K] [iSTD]ME2965561.180.950.93
TAG(50:4) 13C1 [+K]ME2963681.190.980.92
PC-pmg(36:2) 13C0 [+H]ME2962191.160.950.84
PC(38:5) 13C2 [+H]ME2962731.190.990.87
PC(38:3) 13C1 [+H]ME2962811.170.970.88
TAG(50:3) 13C1 [+K]ME2963701.170.970.89
Polydimethylsiloxane(C10H30O5Si5) 13C0 [+NH4]ME2960341.160.970.87
Polydimethylsiloxane(C24H72O12Si12) 13C0 [+NH4]ME2966171.150.960.86
LysoPE(10:0) 13C0 [+NH4]ME2970821.151.000.92
Polydimethylsiloxane(C26H78O13Si13) 13C0 [+NH4]ME2966191.120.980.88
SM(42:1) 13C0 [+H]ME2962881.130.990.88
Polydimethylsiloxane(C10H30O5Si5) 13C0 [+H]ME2960301.130.970.90
Polydimethylsiloxane(C10H30O5Si5) 13C1 [+H]ME2960311.150.970.90
LysoPC-pmg(12:1) 13C1 [+H]ME2965681.140.990.83
Cer(42:2) 13C0 [+NH4]ME2965891.121.010.80
PC-pmg(32:0) 13C0 [+H]ME2961601.101.000.78
15:0-18:1(d7)-15:0 TG(33:1) 13C1 [+K] [iSTD]ME2968181.241.030.84
TAG(54:2) 13C0 [+K]ME2967181.271.040.81
CE(16:1) 13C0 [+NH4]ME2960821.250.940.84
FA(22:1) 13C0 [+NH4]ME2970081.230.990.84
PC(32:1) 13C1 [+H]ME2961731.210.960.83
PC(32:1) 13C0 [+H]ME2961711.230.990.77
Polydimethylsiloxane(C30H90O15Si15) 13C0 [+NH4]ME2966221.250.990.77
CE(16:1) 13C1 [+NH4]ME2960841.191.000.81
Cer(42:2) 13C1 [+NH4]ME2965901.180.980.79
PC(34:3) 13C1 [+H]ME2961931.270.870.93
MAG(14:2) 13C0 [+K]ME2968331.250.920.91
PC(34:3) 13C0 [+H]ME2961921.270.900.88
DAG(32:3) 13C0 [+NH4]ME2960681.330.790.95
DAG(36:3) 13C1 [+NH4]ME2960791.390.800.93
CE(16:1) 13C2 [+NH4]ME2966391.300.870.86
CE(20:3) 13C0 [+Na]ME2965441.280.820.86
CE(17:1) 13C0 [+NH4]ME2960941.370.850.91
FA(17:0) 13C0 [+NH4]ME2960111.320.840.88
FA(17:0) 13C1 [+NH4]ME2960121.350.830.87
FA(17:0) 13C2 [+NH4]ME2960131.360.820.86
LysoPS(26:2) 13C0 [+NH4]ME2965861.260.930.68
MAG(18:0) 13C0 [+NH4]ME2965671.330.980.75
Polydimethylsiloxane(C28H84O14Si14) 13C0 [+NH4]ME2966201.360.980.73
MAG(16:1) 13C0 [+NH4]ME2960251.290.930.81
PA(44:7) 13C0 [+H]ME2965521.290.920.76
Polydimethylsiloxane(C32H96O16Si16) 13C0 [+NH4]ME2966231.290.940.74
CE(20:2) 13C0 [+NH4]ME2961421.350.980.86
MAG(20:2) 13C0 [+NH4]ME2967791.420.960.80
PE(34:9) 13C1 [+H]ME2965461.440.910.75
CE(22:0) 13C0 [+NH4]ME2969690.921.260.69
PC(38:6) 13C2 [+H]ME2966480.891.240.70
LysoPC(20:4) 13C0 [+H]ME2960610.811.280.72
TAG(52:1) 13C0 [+K]ME2967130.841.240.71
TAG(52:5) 13C0 [+K]ME2964120.851.270.74
Cer(32:0) 13C1 [+H]ME2965280.821.150.81
CE(14:0) 13C0 [+NH4]ME2960740.891.170.85
TAG(52:4) 13C0 [+K]ME2964160.861.190.82
FA(15:2) 13C0 [+NH4]ME2966260.851.180.86
TAG(52:2) 13C0 [+K]ME2964240.851.170.85
PC(36:5) 13C0 [+Na]ME2962630.881.320.81
LTB4-ETA 13C0 [+NH4]ME2967890.871.250.87
SM(42:3) 13C2 [+H]ME2970690.851.230.84
LysoPC(18:0) 13C0 [+Na]ME2960630.831.260.78
LysoPC(16:0) 13C0 [+H]ME2960440.841.240.81
LysoPC(16:0) 13C1 [+H]ME2960450.861.240.79
FA(18:3) 13C0 [+Na]ME2960160.821.270.85
CE(20:0) 13C1 [+NH4]ME2969570.841.290.81
CE(20:4) 13C0 [+K]ME2961560.811.280.81
PE-pmg(36:4) 13C0 [+H]ME2967271.001.260.62
PE(38:2) 13C3 [+H]ME2965510.971.290.58
TAG(48:2) 13C0 [+K]ME2963310.961.290.59
Cer-1P(44:2) 13C1 [+NH4]ME2970891.051.220.72
FA(20:3) 13C0 [+H]ME2966291.021.240.72
PC(34:3) 13C0 [+Na]ME2962261.011.250.73
PC(30:0) 13C1 [+H]ME2961550.991.280.76
LysoPC(16:0) 13C0 [+Na]ME2960470.961.230.72
LysoPC(18:1) 13C1 [+H]ME2960520.971.240.73
HexCer(34:1) 13C0 [+H]ME2967960.681.430.78
CE(21:0) 13C0 [+NH4]ME2969610.751.400.80
CE(21:0) 13C1 [+NH4]ME2969620.741.450.81
PC(38:4) 13C3 [+H]ME2962800.731.430.95
SM(40:3) 13C0 [+H]ME2970650.691.370.87
CE(18:0) 13C0 [+NH4]ME2961070.711.320.87
CE(18:0) 13C1 [+NH4]ME2961100.681.330.88
Cer(36:0) 13C0 [+H]ME2965300.641.310.65
TAG(56:6) 13C0 [+K]ME2964970.671.400.69
MAG(26:1) 13C0 [+NH4]ME2967380.691.240.64
TAG(54:5) 13C1 [+K]ME2964680.751.250.66
CE(20:4) 13C1 [+K]ME2961570.791.340.67
CE(17:0) 13C0 [+NH4]ME2960950.771.310.77
TAG(48:0) 13C0 [+K]ME2967080.731.270.74
15:0-18:1(d7) PC(33:1) 13C2 [+Na] [iSTD]ME2967280.741.130.74
FA(22:0) 13C0 [+NH4]ME2970050.671.180.80
PGE1 13C0 [+NH4]ME2967330.671.210.86
Cer(30:0) 13C0 [+H]ME2969090.661.290.76
TAG(54:5) 13C0 [+K]ME2964670.581.280.80
LysoPC(18:2) 13C0 [+Na]ME2960600.911.530.65
PE(24:4) 13C0 [+H]ME2960670.911.650.62
CE(19:0) 13C0 [+NH4]ME2969450.621.680.90
TAG(53:5) 13C0 [+NH4]ME2968660.641.580.95
LysoPC(16:0) 13C2 [+H]ME2970480.701.520.67
PC-pmg(40:7) 13C0 [+H]ME2967680.651.580.77
TAG(54:1) 13C0 [+Na]ME296716NA0.471.21
TAG(54:2) 13C2 [+Na]ME296854NA0.441.28
TAG(50:0) 13C1 [+Na]ME296709NA0.701.30
TAG(50:4) 13C2 [+NH4]ME297125NA0.701.30
TAG(48:4) 13C0 [+Na]ME296851NA0.781.45
TAG(56:0) 13C0 [+NH4]ME296999NA0.701.44
TAG(54:2) 13C3 [+NH4]ME296671NA0.631.49
TAG(56:3) 13C0 [+Na]ME296856NA0.611.39
TAG(58:11) 13C0 [+NH4]ME297225NA0.611.39
TAG(44:0) 13C0 [+Na]ME296695NA0.551.15
TAG(46:2) 13C1 [+Na]ME296700NA0.681.16
TAG(53:2) 13C0 [+Na]ME296670NA0.631.18
TAG(53:0) 13C0 [+NH4]ME296995NA0.861.21
DAG(34:3) 13C0 [+NH4]ME297014NA0.771.23
SM(40:1) 13C0 [+Na]ME296272NA0.781.22
TAG(48:4) 13C1 [+Na]ME297120NA0.811.19
Sulfatide(36:2) 13C0 [+Na]ME297095NA0.801.20
TAG(48:4) 13C2 [+NH4]ME297119NA0.801.20
TAG(51:1) 13C2 [+NH4]ME296662NA0.741.09
TAG(55:2) 13C1 [+NH4]ME296673NA0.811.13
TAG(58:10) 13C1 [+NH4]ME296681NA0.591.82
TAG(52:0) 13C0 [+Na]ME296712NA0.171.42
TAG(56:9) 13C1 [+NH4]ME2970020.340.341.66
MAG(22:2) 13C0 [+NH4]ME2970430.311.400.55
TAG(46:2) 13C2 [+Na]ME2966460.421.300.70
MAG(20:1) 13C0 [+NH4]ME2960350.411.660.64
MAG(22:1) 13C0 [+NH4]ME2968340.191.500.78
TAG(54:6) 13C2 [+NH4]ME2964270.301.540.65
TAG(54:7) 13C0 [+Na]ME2964290.221.560.68
MAG(20:1) 13C1 [+NH4]ME297146NA1.360.27
TAG(54:8) 13C1 [+NH4]ME296877NA1.560.44
TAG(55:6) 13C0 [+NH4]ME296882NA1.630.37
MAG(22:1) 13C1 [+NH4]ME297044NA1.600.40
TAG(55:6) 13C1 [+NH4]ME296883NA1.610.39
CE(20:0) 13C0 [+NH4]ME2961460.311.800.24
TAG(54:6) 13C2 [+Na]ME2968520.241.680.51
TAG(54:8) 13C0 [+NH4]ME2964150.181.860.48
FA(18:0) 13C0 [+H]ME296813NA1.010.99
TAG(44:1) 13C2 [+NH4]ME296690NA1.001.00
TAG(55:0) 13C0 [+NH4]ME296997NA0.981.05
TAG(53:1) 13C1 [+NH4]ME296669NA0.961.02
TAG(55:2) 13C0 [+NH4]ME296466NA0.961.02
TAG(56:3) 13C2 [+NH4]ME296493NA0.971.02
FA(23:1) 13C0 [+H]ME296897NA0.981.02
TAG(58:5) 13C0 [+NH4]ME296505NA0.981.02
TAG(58:6) 13C1 [+NH4]ME296682NA0.871.09
TAG(52:1) 13C3 [+NH4]ME296665NA0.911.09
PC(36:4) 13C2 [+Na]ME296266NA0.921.08
TAG(46:1) 13C1 [+Na]ME296647NA0.931.07
TAG(53:2) 13C2 [+NH4]ME296667NA0.901.05
TAG(55:3) 13C1 [+NH4]ME296463NA0.931.04
LTB4-ETA 13C1 [+NH4]ME297013NA1.070.86
HexCer(32:1) 13C0 [+H]ME296940NA1.060.82
PE(40:6) 13C0 [+H]ME297067NA1.050.84
TAG(51:0) 13C1 [+NH4]ME296992NA1.050.84
DAG(24:3) 13C0 [+NH4]ME297010NA1.090.94
TAG(49:2) 13C2 [+NH4]ME296655NA1.080.96
TAG(57:2) 13C0 [+NH4]ME297218NA1.090.96
TAG(49:1) 13C0 [+Na]ME296659NA1.050.98
TAG(58:4) 13C0 [+NH4]ME296506NA1.060.94
MAG(22:1) 13C0 [+H]ME296903NA1.050.95
TAG(51:1) 13C0 [+Na]ME296664NA1.050.95
DAG(36:4) 13C1 [+NH4]ME296874NA1.030.95
TAG(52:1) 13C2 [+Na]ME296666NA1.030.93
TAG(56:2) 13C2 [+NH4]ME296678NA1.150.91
TAG(56:4) 13C2 [+NH4]ME296889NA1.140.91
TAG(48:2) 13C2 [+Na]ME296653NA1.140.94
TAG(49:1) 13C2 [+NH4]ME296657NA1.150.95
TAG(57:3) 13C0 [+NH4]ME296496NA1.160.95
TAG(56:4) 13C0 [+Na]ME296855NA1.160.84
TAG(58:4) 13C1 [+NH4]ME296507NA1.170.86
TAG(57:3) 13C1 [+NH4]ME297286NA1.110.89
TAG(60:3) 13C0 [+NH4]ME296896NA1.130.87
TAG(55:5) 13C0 [+NH4]ME296458NA1.470.76
PE(38:6) 13C0 [+H]ME297184NA1.380.62
TAG(60:4) 13C0 [+NH4]ME296894NA1.480.52
HexCer(38:2) 13C0 [+NH4]ME296847NA1.200.59
PA(44:0) 13C0 [+H]ME296703NA1.240.53
TAG(53:5) 13C1 [+NH4]ME296867NA1.380.91
TAG(56:1) 13C1 [+NH4]ME296719NA1.360.93
FA(24:1) 13C0 [+NH4]ME296846NA1.260.87
TAG(55:4) 13C1 [+NH4]ME296460NA1.330.87
DAG(40:1) 13C1 [+NH4]ME297046NA1.300.85
TAG(50:6) 13C0 [+NH4]ME297034NA1.300.85
TAG(48:1) 13C2 [+Na]ME296654NA1.350.82
TAG(55:5) 13C1 [+NH4]ME296885NA1.300.80
TAG(48:1) 13C3 [+NH4]ME296652NA1.290.71
DAG(38:1) 13C1 [+NH4]ME297045NA1.310.69
PC(38:4) 13C2 [+Na]ME296317NA1.300.70
TAG(49:2) 13C0 [+Na]ME296658NA1.270.73
TAG(56:7) 13C1 [+K]ME296827NA1.250.75
CE(23:2) 13C0 [+NH4]ME296176NA1.220.78
Polydimethylsiloxane(C12H36O6Si6) 13C0 [+Na]ME297009NA1.200.80
TAG(58:5) 13C1 [+NH4]ME296891NA1.190.81
DAG(36:1) 13C1 [+NH4]ME297147NA1.160.69
TAG(57:4) 13C0 [+NH4]ME296890NA1.140.73
TAG(61:0) 13C0 [+Na]ME296512NA1.120.77
TAG(56:5) 13C2 [+NH4]ME2964850.491.551.13
TAG(54:4) 13C3 [+NH4]ME2968530.181.211.00
DAG(38:1) 13C0 [+NH4]ME2968360.321.241.09
DAG(40:1) 13C0 [+NH4]ME2969540.291.231.00
TAG(54:6) 13C1 [+Na]ME2964360.361.490.84
TAG(54:7) 13C1 [+NH4]ME2964200.331.410.82
TAG(54:6) 13C0 [+NH4]ME2964220.351.480.95
TAG(54:6) 13C1 [+NH4]ME2964250.381.410.95
TAG(54:7) 13C0 [+NH4]ME2964180.311.421.03
DAG(36:4) 13C0 [+Na]ME2968710.401.391.02
TAG(54:6) 13C0 [+Na]ME2964340.361.391.08
TAG(52:12) 13C0 [+K]ME2963880.501.301.30
TAG(54:5) 13C0 [+NH4]ME2964280.441.221.31
TAG(54:5) 13C1 [+NH4]ME2964310.441.211.30
DAG(36:1) 13C0 [+NH4]ME2966370.411.190.91
TAG(54:5) 13C2 [+Na]ME2964440.471.280.92
PC(40:6) 13C0 [+Na]ME2963560.521.281.04
MAG(16:3) 13C0 [+NH4]ME2967200.571.201.01
TAG(48:0) 13C2 [+NH4]ME2966030.601.161.05
TAG(50:1) 13C2 [+Na]ME2966100.571.131.05
Cer-1P(40:2) 13C0 [+NH4]ME2970840.771.231.24
SM(38:2) 13C1 [+H]ME2970630.701.401.09
TAG(51:2) 13C2 [+NH4]ME2963640.681.321.05
TAG(54:7) 13C0 [+K]ME2968860.181.41NA
CE(22:0) 13C1 [+NH4]ME2969710.681.470.39
TAG(56:5) 13C0 [+K]ME2968290.681.510.30
TAG(54:5) 13C2 [+K]ME2968220.571.610.21
DAG(32:0) 13C0 [+NH4]ME2966860.601.560.33
DAG(34:0) 13C0 [+NH4]ME2967910.551.590.32
TAG(54:6) 13C0 [+K]ME2964620.451.510.44
TAG(54:6) 13C1 [+K]ME2964640.461.440.38
TAG(56:7) 13C0 [+K]ME2968260.561.360.46
DAG(30:0) 13C0 [+NH4]ME2967900.661.330.38
MAG(18:1) 13C0 [+Na]ME2966840.611.290.38
PC-pmg(40:4) 13C0 [+H]ME2967550.681.65NA
DAG(40:2) 13C0 [+NH4]ME2972600.451.55NA
DAG(34:0) 13C1 [+NH4]ME2967920.601.47NA
HexCer(30:0) 13C0 [+H]ME2967940.531.47NA
HexCer(32:0) 13C1 [+H]ME2969430.461.11NA
DAG(30:0) 13C1 [+NH4]ME2969110.431.19NA
HexCer(30:0) 13C1 [+H]ME2969300.421.15NA
LysoPC(20:3) 13C0 [+H]ME2970490.761.32NA
DAG(36:0) 13C1 [+NH4]ME2969270.721.23NA
DAG(42:0) 13C0 [+NH4]ME2969680.731.27NA
LysoPC(14:0) 13C0 [+H]ME2970470.751.25NA
PC-pmg(44:5) 13C0 [+H]ME2967590.691.31NA
DAG(38:0) 13C0 [+NH4]ME2969380.671.26NA
HexCer(34:0) 13C0 [+H]ME2969590.671.26NA
PC-pmg(42:5) 13C0 [+H]ME2967570.691.41NA
HexCer(32:0) 13C0 [+H]ME2969420.611.31NA
Cer(42:4) 13C0 [+H]ME2969280.631.37NA
PC-pmg(40:5) 13C1 [+H]ME2970720.651.35NA
CE(15:0) 13C1 [+NH4]ME2969230.621.19NA
CE(23:0) 13C1 [+NH4]ME2969760.631.19NA
DAG(40:5) 13C1 [+NH4]ME2969480.631.19NA
CE(19:0) 13C1 [+NH4]ME2969460.611.20NA
PC-pmg(42:6) 13C0 [+H]ME2970730.611.19NA
DAG(38:0) 13C1 [+NH4]ME2969390.621.15NA
DAG(32:0) 13C0 [+Na]ME2969160.661.17NA
DAG(40:4) 13C1 [+NH4]ME2969510.651.17NA
DAG(32:0) 13C1 [+NH4]ME2969150.571.17NA
MAG(18:1) 13C0 [+H]ME2968690.561.15NA
CE(24:0) 13C0 [+NH4]ME2969800.541.23NA
CE(25:0) 13C0 [+NH4]ME2969830.581.21NA
MAG(18:2) 13C0 [+Na]ME2968700.561.22NA
DAG(42:5) 13C1 [+NH4]ME2969640.711.14NA
DAG(38:4) 13C0 [+NH4]ME2969330.691.16NA
MAG(24:1) 13C0 [+NH4]ME2969060.701.15NA
PC(32:0) 13C2 [+H]ME2970860.791.21NA
DAG(40:0) 13C0 [+NH4]ME2969550.741.18NA
FA(19:0) 13C0 [+H]ME2965740.761.18NA
Cholesterol 13C0 [+NH4]ME2970330.771.15NA
PC-pmg(44:6) 13C0 [+H]ME2967580.751.16NA
DAG(40:0) 13C1 [+NH4]ME2969560.631.09NA
HexCer(38:0) 13C0 [+H]ME2969820.751.06NA
DAG(36:0) 13C0 [+Na]ME2969310.721.07NA
TH-12-keto-LTB4 13C0 [+Na]ME2965660.721.07NA
DAG(34:0) 13C0 [+Na]ME2969210.691.08NA
HexCer(36:0) 13C0 [+H]ME2969730.701.06NA
PC(34:0) 13C1 [+H]ME2970500.861.41NA
FA(25:1) 13C0 [+H]ME2967880.831.26NA
LTB4-DMA 13C1 [+NH4]ME2967660.931.22NA
CE(16:0) 13C1 [+K]ME2971520.881.23NA
CE(22:6) 13C0 [+Na]ME2970750.901.20NA
LTB4-DMA 13C0 [+NH4]ME2966301.031.190.26
TAG(54:2) 13C1 [+K]ME2968250.981.180.31
TAG(54:4) 13C2 [+K]ME2968231.161.080.35
PE-pmg(38:4) 13C1 [+H]ME2968611.101.140.48
PE-pmg(38:5) 13C0 [+H]ME2968601.031.160.46
TAG(48:1) 13C0 [+K]ME2967061.031.260.45
TAG(52:1) 13C1 [+K]ME2967141.081.230.39
TAG(52:4) 13C2 [+K]ME2968211.121.170.38
DAG(36:0) 13C0 [+NH4]ME2967930.871.260.54
FA(22:3) 13C1 [+NH4]ME2965640.871.310.46
CE(23:0) 13C0 [+NH4]ME2969750.821.500.35
SM(30:2) 13C0 [+Na]ME2967950.881.390.31
DAG(44:4) 13C1 [+NH4]ME2969780.981.04NA
LysoPG(18:3) 13C0 [+H]ME2968490.971.03NA
SM(42:3) 13C0 [+Na]ME2971010.971.02NA
DAG(46:4) 13C0 [+NH4]ME2969850.971.02NA
MAG(24:4) 13C0 [+NH4]ME2969050.971.02NA
FA(20:3) 13C0 [+NH4]ME2970031.030.97NA
TAG(48:3) 13C0 [+K]ME2971241.040.96NA
CE(18:2) 13C3 [+Na]ME2968401.020.99NA
DAG(44:4) 13C0 [+NH4]ME2969771.020.99NA
PE(26:2) 13C0 [+H]ME2970781.010.99NA
Cer(40:2) 13C0 [+NH4]ME2967451.010.99NA
FA(14:2) 13C1 [+NH4]ME2967641.010.99NA
SM(40:2) 13C2 [+H]ME2970661.001.00NA
PC(32:1) 13C2 [+H]ME2966420.991.01NA
SM(42:1) 13C2 [+H]ME2970910.991.01NA
DAG(40:5) 13C0 [+NH4]ME2969470.851.04NA
DAG(42:5) 13C0 [+NH4]ME2969630.821.06NA
PE(40:3) 13C1 [+H]ME2971000.931.07NA
PGA2 13C0 [+H]ME2970570.911.04NA
DAG(40:4) 13C0 [+NH4]ME2969490.891.06NA
FA(25:2) 13C0 [+NH4]ME2971150.891.05NA
DAG(42:4) 13C0 [+NH4]ME2969650.931.13NA
PC-pmg(36:2) 13C1 [+H]ME2970880.891.11NA
DAG(22:4) 13C0 [+NH4]ME2966311.440.78NA
PE(34:2) 13C0 [+H]ME2970831.400.80NA
CE(16:1) 13C0 [+K]ME2971511.070.87NA
PS-pmg(30:2) 13C0 [+H]ME2967501.110.89NA
MAG(14:2) 13C0 [+NH4]ME2967721.090.82NA
Polydimethylsiloxane(C10H30O5Si5) 13C1 [+NH4]ME2965751.130.81NA
CE(18:3) 13C0 [+K]ME2971111.150.85NA
FA(20:2) 13C0 [+NH4]ME2970041.140.86NA
LysoPC(26:0) 13C0 [+H]ME2965721.140.86NA
CE(18:3) 13C1 [+K]ME2971531.170.83NA
CE(22:1) 13C1 [+NH4]ME2971051.190.81NA
Polydimethylsiloxane(C36H108O18Si18) 13C0 [+NH4]ME2966251.190.81NA
FA(14:0) 13C0 [+K]ME2966271.190.91NA
FA(23:2) 13C0 [+NH4]ME2971141.110.96NA
MAG(18:2) 13C0 [+NH4]ME2967781.290.90NA
FA(26:0) 13C0 [+NH4]ME2968391.270.86NA
PS(24:0) 13C0 [+H]ME2967431.290.86NA
FA(22:4) 13C0 [+NH4]ME2965631.290.71NA
LysoPA(20:1) 13C1 [+NH4]ME2967371.230.77NA
Polydimethylsiloxane(C10H30O5Si5) 13C0 [+Na]ME2965761.250.75NA
SM(40:1) 13C2 [+H]ME2970061.710.821.00
FA(17:3) 13C0 [+NH4]ME2968312.210.710.66
DAG(32:3) 13C0 [+H]ME2965701.950.590.69
DAG(32:3) 13C0 [+Na]ME2965711.960.690.82
TAG(46:1) 13C2 [+Na]ME2966011.960.800.70
FA(19:0) 13C2 [+NH4]ME2967741.940.620.25
Cer(36:3) 13C1 [+H]ME2967821.750.25NA
Polydimethylsiloxane(C38H114O19Si19) 13C0 [+NH4]ME2967611.830.72NA
LysoPS(26:2) 13C1 [+NH4]ME2967471.600.70NA
PE(36:3) 13C0 [+H]ME2970531.700.65NA
LysoPC(24:3) 13C0 [+K]ME2970801.250.50NA
PG(28:3) 13C0 [+H]ME2970811.270.45NA
MAG(14:0) 13C0 [+NH4]ME2967751.530.47NA
DAG(22:2) 13C0 [+NH4]ME2970201.420.58NA
FA(15:0) 13C1 [+NH4]ME2967701.490.51NA
MAG(14:1) 13C0 [+NH4]ME2967731.460.54NA
PE-pmg(40:7) 13C0 [+Na]ME2972391.470.53NA

Factors:

F1Cancer Stage:Early
F2Cancer Stage:Late
F3Cancer Stage:Normal
Data matrix
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