Clustering data with hclust algorithm for (Study ST000367)

Retsch homogenization (IC-FTMS2) (Analysis AN000601)
MetaboliteStructureF1F2F3F4
Pyruvate-13C2[-H+]-ME1321680.351.490.211.63
UDP-N-acetyl-alpha-D-galactosamine-13C5[-H+]-ME1322180.082.290.151.47
R1P-13C0[-H+]-ME132170NA0.930.791.28
Pyruvate-13C3[-H+]-ME1321690.311.420.391.89
R1P-13C5[-H+]-ME1321710.091.910.831.17
aKG-13C2[-H+]-ME1319220.391.470.411.73
13BPG-13C3[-H+]-ME1319010.410.442.910.24
1-Pyrroline-2-carboxylic-13C3[-H+]-ME131902NA1.72NA0.28
2HG-13C0[-H+]-ME1319030.231.260.512.00
UDP-13C5[-H+]-ME1322020.220.560.752.47
dGDP-13C3[-H+]-ME1319810.171.010.482.34
N-Acetylglutamic-13C3[-H+]-ME1321350.022.100.121.32
Erythrose-13C0[-H+]-ME1320110.401.050.721.83
L-Xylonate-13C5[-H+]-ME1321190.780.881.131.21
Hexoses-13C5[-H+]-ME132090NA0.990.871.07
Lactate-13C1[-H+]-ME132102NA1.01NA0.99
Lactate-13C0[-H+]-ME1321010.530.941.041.50
Hexoses-13C0[-H+]-ME1320870.551.070.661.72
Itaconic acid-13C0[-H+]-ME1320970.400.851.011.74
Lactate-13C2[-H+]-ME1321030.161.710.291.83
SucroseAndDischarrides-13C10[-H+]-ME132193NA0.66NA1.34
G6P-13C3[-H+]-ME1320380.300.70NA1.65
Pyroglutamic acid-13C3[-H+]-ME1321630.112.420.051.42
GSH-13C2[-H+]-ME1320680.201.660.331.80
GSH-13C3[-H+]-ME1320690.111.600.221.68
Deoxycytidine-13C2[-H+]-ME131975NA0.97NA1.03
ATP-13C3[-H+]-ME131941NA1.48NA0.52
Galacturonic acid/D-Glucuronic acid-13C6[-H+]-ME1320530.441.480.851.24
2HG-13C4[-H+]-ME131907NA1.26NA0.74
Galactose 6-phosphate-13C6[-H+]-ME1320490.601.430.891.09
ATP-13C2[-H+]-ME131940NA1.46NA0.54
Galacturonic acid/D-Glucuronic acid-13C0[-H+]-ME1320500.191.670.381.77
UDP-N-acetyl-alpha-D-galactosamine-13C6[-H+]-ME1322190.122.390.281.21
2HG-13C5[-H+]-ME131908NA1.17NA0.83
(S)-Methylmalonic-13C0[-H+]-ME1318960.071.810.122.11
CMP-13C2[-H+]-ME131959NA1.01NA0.98
Fumarate-13C0[-H+]-ME1320270.181.920.321.57
UDP-N-acetyl-alpha-D-galactosamine-13C12[-H+]-ME1322100.042.040.161.76
dGDP-13C5[-H+]-ME1319830.220.870.512.41
Uridine diphosphate-N-acetylglucosamine-13C2[-H+]-ME132248NA1.66NA0.34
Pyroglutamic acid-13C0[-H+]-ME1321600.561.230.891.33
Uridine diphosphate-N-acetylglucosamine-13C5[-H+]-ME1322510.132.410.181.28
Uridine diphosphate-N-acetylglucosamine-13C4[-H+]-ME132250NA1.27NA0.46
Gulonic and Galactonic and Gluconic acid-13C6[-H+]-ME1320860.651.011.171.17
Aminofructose 6-phosphate/Glucosamine 6-phosphate-13C0[-H+]-ME1319260.331.730.561.38
SucroseAndDischarrides-13C9[-H+]-ME132197NA0.68NA1.32
N-Acetylglutamic-13C1[-H+]-ME132133NA1.32NA0.68
G6P-13C2[-H+]-ME132037NA0.99NA1.03
L-Glutamic-13C4[-H+]-ME1321140.031.930.052.00
Hexoses-13C6[-H+]-ME1320910.840.891.081.18
Aminofructose 6-phosphate/Glucosamine 6-phosphate-13C3[-H+]-ME1319290.191.960.351.50
XMP-13C0[-H+]-ME1322640.511.541.000.95
UTP-13C7[-H+]-ME132262NA1.37NA0.25
dGDP-13C0[-H+]-ME1319780.141.030.292.53
L-Glutamic-13C1[-H+]-ME1321110.521.350.661.47
2HG-13C3[-H+]-ME131906NA1.19NA0.81
Deoxycytidine-13C3[-H+]-ME131976NA1.12NA0.88
L-Aspartic acid-13C1[-H+]-ME1321060.441.130.901.53
L-Aspartic acid-13C2[-H+]-ME1321070.381.150.681.79
D-Ribulose-13C5[-H+]-ME1320030.062.470.151.31
L-Aspartic acid-13C3[-H+]-ME1321080.281.330.471.92
SucroseAndDischarrides-13C6[-H+]-ME1321960.251.09NA1.28
aKG-13C3[-H+]-ME1319230.201.600.221.98
S7P-13C5[-H+]-ME1321830.071.960.101.41
S7P-13C6[-H+]-ME132184NA1.320.331.35
UDP-N-acetyl-alpha-D-galactosamine-13C3[-H+]-ME132216NA1.30NA0.70
N-Acetylglutamic-13C5[-H+]-ME1321370.011.690.011.30
AMP-13C4[-H+]-ME131935NA0.63NA1.37
L-Xylonate-13C0[-H+]-ME1321160.480.960.921.64
13BPG-13C0[-H+]-ME131899NA0.441.28NA
L-Xylonate-13C4[-H+]-ME132118NA0.56NA1.44
AMP-13C0[-H+]-ME1319310.061.400.382.17
AMP-13C3[-H+]-ME131934NA1.290.161.55
F16P-13C6[-H+]-ME1320180.492.141.280.09
Cyclic AMP-13C0[-H+]-ME1319670.081.531.091.30
Deoxycytidine-13C0[-H+]-ME1319730.880.711.231.18
Gulonic and Galactonic and Gluconic acid-13C0[-H+]-ME1320800.361.330.821.49
UDP-N-acetyl-alpha-D-galactosamine-13C7[-H+]-ME132220NA1.48NA0.52
UDP-N-acetyl-alpha-D-galactosamine-13C8[-H+]-ME1322210.012.750.011.23
UDP-N-acetyl-alpha-D-galactosamine-13C9[-H+]-ME1322220.43NA2.15NA
ATP-13C5[-H+]-ME1319430.012.510.011.47
CDP-13C0[-H+]-ME1319460.310.960.941.80
ATP-13C4[-H+]-ME131942NA1.37NA0.63
(S)-Methylmalonic-13C3[-H+]-ME1318970.871.620.51NA
GTP-13C5[-H+]-ME1320780.013.610.010.36
Uridine diphosphate-N-acetylglucosamine-13C3[-H+]-ME132249NA1.48NA0.52
Uridine diphosphate-N-acetylglucosamine-13C15[-H+]-ME132246NA1.32NA0.68
Uridine diphosphate-N-acetylglucosamine-13C16[-H+]-ME132247NA1.36NA0.29
G6P-13C0[-H+]-ME1320350.251.370.262.13
Succinate-13C4[-H+]-ME132190NA1.180.011.31
G1P-13C6[-H+]-ME1320340.162.050.261.53
Gulonic and Galactonic and Gluconic acid-13C3[-H+]-ME132083NA0.67NA1.33
D-Xylose/D-Xylulose-13C5[-H+]-ME1320080.771.101.140.99
Gulonic and Galactonic and Gluconic acid-13C5[-H+]-ME1320850.581.481.070.87
CMP-13C9[-H+]-ME1319640.241.260.472.04
Succinate-13C1[-H+]-ME132187NA1.310.111.13
D-Xylose/D-Xylulose-13C0[-H+]-ME132007NA0.99NA1.02
Succinate-13C2[-H+]-ME1321880.051.810.142.00
Succinate-13C3[-H+]-ME1321890.001.930.012.05
CMP-13C5[-H+]-ME1319610.052.000.521.43
CMP-13C6[-H+]-ME1319620.021.341.30NA
E4P-13C0[-H+]-ME132009NA0.871.13NA
Pyroglutamic acid-13C2[-H+]-ME1321620.231.970.171.63
AMP-13C5[-H+]-ME1319360.061.300.242.40
ATP-13C0[-H+]-ME1319380.002.570.011.42
Galactose 6-phosphate-13C5[-H+]-ME1320480.771.910.450.73
L-Glutamic-13C0[-H+]-ME1321100.561.290.741.41
CMP-13C1[-H+]-ME131958NA0.76NA1.48
aKG-13C4[-H+]-ME1319240.041.570.061.86
aKG-13C5[-H+]-ME131925NA0.88NA1.12
cis-Aconitate-13C0[-H+]-ME1319500.641.501.080.78
Uridine diphosphate-N-acetylglucosamine-13C14[-H+]-ME132245NA1.09NA0.91
G1P-13C5[-H+]-ME132033NA1.27NA0.73
Taurine-13C0[-H+]-ME1321980.361.350.501.79
GMP-13C5[-H+]-ME132065NA0.340.211.72
S7P-13C2[-H+]-ME1321800.061.640.111.72
UDP-N-acetyl-alpha-D-galactosamine-13C2[-H+]-ME132215NA1.640.010.85
dGTP-13C5[-H+]-ME1319930.012.510.011.47
UDP-N-acetyl-alpha-D-galactosamine-13C16[-H+]-ME132214NA1.01NA0.99
UDP-13C6[-H+]-ME132203NA0.33NA1.67
ADP-13C2[-H+]-ME1319150.060.840.352.20
Galacturonic acid/D-Glucuronic acid-13C5[-H+]-ME132052NA1.150.760.94
S7P-13C0[-H+]-ME132178NA1.150.111.30
D-Ribose and L-Arabinose-13C0[-H+]-ME1319960.871.06NANA
UMP-13C1[-H+]-ME132224NA1.160.84NA
ADP-13C3[-H+]-ME1319160.171.010.482.34
SucroseAndDischarrides-13C11[-H+]-ME1321940.191.640.142.04
Malate-13C3[-H+]-ME1321230.061.730.142.06
Mannose 6-phosphate-13C6[-H+]-ME1321310.151.730.451.67
L-Glutamic-13C2[-H+]-ME1321120.261.610.351.77
SucroseAndDischarrides-13C1[-H+]-ME1321920.351.32NANA
Uridine diphosphate-N-acetylglucosamine-13C8[-H+]-ME1322540.013.030.020.94
Cyclic AMP-13C5[-H+]-ME1319710.340.380.752.22
CMP-13C3[-H+]-ME131960NA0.83NA1.17
Mannose 6-phosphate-13C5[-H+]-ME1321300.131.620.351.14
R5P-13C5[-H+]-ME1321770.062.470.151.31
3PG-13C0[-H+]-ME1319090.042.690.191.08
UDP-13C8[-H+]-ME132205NA0.30NA1.35
Lactate-13C3[-H+]-ME1321040.211.690.351.76
L-Aspartic acid-13C0[-H+]-ME1321050.640.961.031.36
ADP-13C5[-H+]-ME1319180.220.870.512.41
UTP-13C5[-H+]-ME132260NA1.75NA0.25
D-Ribulose-13C4[-H+]-ME132002NA1.13NA0.73
Mannose 6-phosphate-13C4[-H+]-ME132129NA1.27NA0.73
dTMP-13C0[-H+]-ME132004NA0.48NA1.52
Citrate-13C1[-H+]-ME1319520.092.380.241.29
N-Acetylglutamic-13C6[-H+]-ME132138NA1.380.001.12
Pyroglutamic acid-13C5[-H+]-ME1321650.011.49NA1.00
UMP-13C5[-H+]-ME1322280.201.410.491.90
L-Glutamic-13C5[-H+]-ME1321150.012.400.022.14
Citrate-13C2[-H+]-ME1319530.102.300.191.41
Pyruvate-13C0[-H+]-ME1321660.810.741.011.43
dGTP-13C0[-H+]-ME1319880.002.570.011.42
Succinate-13C0[-H+]-ME1321860.301.110.611.97
F26P-13C0[-H+]-ME1320190.651.191.051.12
F6P-13C3[-H+]-ME132023NA1.11NA0.89
Uridine diphosphate-N-acetylglucosamine-13C10[-H+]-ME132241NA1.360.29NA
UMP-13C8[-H+]-ME1322310.011.610.032.35
Uridine diphosphate-N-acetylglucosamine-13C11[-H+]-ME1322420.272.150.411.17
D-Glucuronic-13C0[-H+]-ME131985NA1.71NA0.29
UMP-13C0[-H+]-ME1322230.151.950.351.55
GDP-13C5[-H+]-ME1320590.101.240.382.28
3PG-13C2[-H+]-ME1319110.102.350.180.93
Isocitrate-13C0[-H+]-ME1320940.51NANA1.49
CTP-13C0[-H+]-ME1319650.212.670.130.99
UDP-N-acetyl-alpha-D-galactosamine-13C0[-H+]-ME1322060.032.430.061.48
UMP-13C3[-H+]-ME1322260.121.840.301.75
UMP-13C4[-H+]-ME1322270.091.560.242.12
GMP-13C0[-H+]-ME132063NA0.55NA1.23
CDP-13C5[-H+]-ME1319480.510.691.621.97
NADH-13C0[-H+]-ME1321400.142.170.321.04
dGTP-13C4[-H+]-ME131992NA1.37NA0.63
Uridine diphosphate-N-acetylglucosamine-13C13[-H+]-ME132244NA1.510.020.97
Citrate-13C6[-H+]-ME1319570.002.320.001.17
PEP-13C3[-H+]-ME1321560.191.820.481.51
Phosphocreatine-13C0[-H+]-ME1321570.580.991.171.25
D-Ribulose-13C3[-H+]-ME132001NA1.17NA0.83
R5P-13C0[-H+]-ME1321720.012.110.061.32
F6P-13C2[-H+]-ME132022NA1.22NA0.56
F6P-13C5[-H+]-ME1320250.471.390.551.59
GSH-13C0[-H+]-ME1320660.401.350.811.44
G1P-13C0[-H+]-ME1320320.860.491.231.33
UMP-13C7[-H+]-ME1322300.031.580.112.28
dGTP-13C3[-H+]-ME131991NA1.48NA0.52
R5P-13C3[-H+]-ME132175NA1.10NA0.90
dGTP-13C2[-H+]-ME131990NA1.46NA0.54
UDP-N-acetyl-alpha-D-galactosamine-13C11[-H+]-ME1322090.162.030.331.48
Citrate-13C0[-H+]-ME1319510.361.930.531.18
F6P-13C4[-H+]-ME132024NA1.47NA0.53
UDP-N-acetyl-alpha-D-galactosamine-13C10[-H+]-ME1322080.041.990.141.35
Mannose 6-phosphate-13C3[-H+]-ME132128NA1.09NA0.91
Citrate-13C4[-H+]-ME1319550.012.490.021.48
N-Acetylglutamic-13C7[-H+]-ME132139NA1.12NA0.88
UDP-13C0[-H+]-ME1322000.230.880.712.18
UDP-13C7[-H+]-ME132204NA0.11NA1.44
D-Ribose and L-Arabinose-13C5[-H+]-ME1319970.761.141.120.98
F6P-13C0[-H+]-ME1320210.292.840.610.65
Fumarate-13C4[-H+]-ME132031NA1.21NA0.79
Pantothenic acid-13C0[-H+]-ME1321510.541.180.861.42
D-Ribulose-13C0[-H+]-ME1319980.012.110.061.32
Glyceric acid-13C0[-H+]-ME1320610.311.600.751.34
Fumarate-13C1[-H+]-ME132028NA1.33NA0.67
N-Acetylglutamic-13C4[-H+]-ME1321360.022.170.041.77
Fumarate-13C3[-H+]-ME1320300.022.210.031.74
F6P-13C6[-H+]-ME1320260.710.940.851.50
PEP-13C0[-H+]-ME132154NA1.28NA0.72
dGDP-13C4[-H+]-ME1319820.110.840.332.72
Uridine diphosphate-N-acetylglucosamine-13C0[-H+]-ME1322390.052.750.071.13
GSH-13C4[-H+]-ME1320700.021.920.022.04
Phosphoserine-13C0[-H+]-ME1321591.400.180.381.33
GTP-13C0[-H+]-ME1320730.012.720.010.28
UDP-N-acetyl-alpha-D-galactosamine-13C4[-H+]-ME132217NA1.530.130.91
Uracil-13C0[-H+]-ME1322330.141.670.261.94
Uric acid-13C0[-H+]-ME1322370.062.270.171.49
D-Glucuronic-13C6[-H+]-ME1319870.043.300.200.46
Uracil-13C2[-H+]-ME132235NA0.33NA1.33
aKG-13C0[-H+]-ME1319200.850.880.981.29
NADH-13C10[-H+]-ME1321420.312.430.330.92
NADH-13C5[-H+]-ME1321460.172.740.170.92
dUDP-13C0[-H+]-ME1320050.140.341.841.49
N-Acetylglutamic-13C0[-H+]-ME1321320.421.680.571.34
Uridine diphosphate-N-acetylglucosamine-13C6[-H+]-ME1322520.172.540.281.01
ADP-13C0[-H+]-ME1319130.141.030.292.53
Fumarate-13C2[-H+]-ME1320290.042.150.081.74
S7P-13C4[-H+]-ME132182NA1.00NA1.00
S7P-13C7[-H+]-ME1321850.201.710.361.73
Malate-13C1[-H+]-ME1321210.121.590.341.95
Malate-13C2[-H+]-ME1321220.091.660.232.02
ADP-13C4[-H+]-ME1319170.110.840.332.72
L-Aspartic acid-13C4[-H+]-ME1321090.031.660.052.27
Glyceric acid-13C3[-H+]-ME1320620.171.720.491.62
UTP-13C0[-H+]-ME1322560.023.660.020.31
E4P-13C4[-H+]-ME132010NA1.520.180.89
Pyroglutamic acid-13C4[-H+]-ME1321640.031.71NA1.27
(S)-Methylmalonic-13C4[-H+]-ME1318980.840.891.031.23
2HG-13C2[-H+]-ME1319050.012.040.021.93
G6P-13C6[-H+]-ME1320410.390.960.442.21
G6P-13C4[-H+]-ME132039NA0.68NA1.32
UDP-N-acetyl-alpha-D-galactosamine-13C15[-H+]-ME132213NA1.04NA0.96
dGDP-13C2[-H+]-ME1319800.060.840.352.20
Erythrose-13C4[-H+]-ME1320130.630.900.671.80
L-Glutamic-13C3[-H+]-ME1321130.161.780.221.84
GSH-13C5[-H+]-ME1320710.011.710.011.78
SucroseAndDischarrides-13C12[-H+]-ME1321950.331.350.411.91
Mannose 6-phosphate-13C0[-H+]-ME1321250.102.180.131.14
Galactose 6-phosphate-13C3[-H+]-ME132047NA1.240.53NA
F16P-13C5[-H+]-ME1320170.231.77NANA
Galactose 6-phosphate-13C0[-H+]-ME1320460.291.290.761.66
GSH-13C1[-H+]-ME1320670.381.340.791.48
Malate-13C4[-H+]-ME1321240.011.810.022.16
UDP-N-acetyl-alpha-D-galactosamine-13C13[-H+]-ME1322110.022.130.081.77
UDP-N-acetyl-alpha-D-galactosamine-13C14[-H+]-ME132212NA1.570.031.40
G6P-13C5[-H+]-ME1320400.250.940.292.52
GDP-13C0[-H+]-ME1320540.071.310.232.40
S7P-13C3[-H+]-ME132181NA0.41NA1.59
UTP-13C6[-H+]-ME132261NA1.68NA0.32
Malate-13C0[-H+]-ME1321200.231.370.551.85
Uridine diphosphate-N-acetylglucosamine-13C12[-H+]-ME132243NA1.43NA0.57
N-Acetylglutamic-13C2[-H+]-ME1321340.091.950.171.79
Citrate-13C5[-H+]-ME1319560.002.530.011.45
GDP-13C4[-H+]-ME132058NA0.56NA1.44
Citrate-13C3[-H+]-ME1319540.072.420.131.39
3PG-13C3[-H+]-ME1319120.161.990.541.32
UMP-13C6[-H+]-ME1322290.021.540.152.29
GalactitolAndSorbitol-13C6[-H+]-ME1320450.741.460.481.32
GalactitolAndSorbitol-13C0[-H+]-ME1320420.180.540.512.77
GalactitolAndSorbitol-13C5[-H+]-ME1320441.161.500.420.70

Factors:

F1Treatment:13C6Glc_100ug/ml b-glucan | Tissue type:nontumor
F2Treatment:13C6Glc_100ug/ml b-glucan | Tissue type:tumor
F3Treatment:13C6Glc | Tissue type:nontumor
F4Treatment:13C6Glc | Tissue type:tumor
Data matrix
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