Clustering data with hclust algorithm for GC-TOF-MS, Brassica nigra / MeJA + herbivory (Study ST001134)

GC POSITIVE ION MODE (Analysis AN001859)
MetaboliteStructureF1F2F3F4
PHENYLALANINE,N,O-TMSME2707331.771.310.710.68
GLYCERIC ACID 3TMSME2707191.151.530.680.92
SUCCINIC ACID TMSME2707471.281.640.600.87
MALTOTRIOSE MEOX TMSME2707270.351.121.560.77
FRUCTOSE MEOX 5TMSME2707091.850.570.721.03
MALEIC ACID TMSME2707251.490.840.810.99
TRYPTOPHAN,N,N,O-TMSME2707501.450.820.731.11
FUMARIC ACID TMSME2707101.660.790.750.98
SORBOSE MEOX 5TMSME2707461.570.650.781.09
SORBITOL 6TMSME2707441.160.311.041.25
GLUCURONIC ACID-E-LACTONE MEOX 3TMSME2707161.120.441.061.19
MANNITOL 6TMSME2707281.090.391.061.23
GALACTOSE MEOX 5TMSME2707111.130.371.051.23
GLUCOSE MEOX 5TMSME2707141.140.381.051.22
ALLOTHREONINE,N,O,O-TMSME2707031.141.240.930.85
THREONINE,N,O,O-TMSME2707491.141.240.930.86
GLUTAMINE,N,N,O-TMSME2707181.311.120.890.87
SERINE,N,O,O-TMSME2707431.191.140.880.92
HEXADECANOIC ACID-TMSME2707210.860.961.101.00
URIDINE-4TMSME2707530.900.911.031.07
PHOSPHATEME2707340.821.071.031.04
RIBITOL 5TMSME2707380.780.981.031.10
XYLITOL 5TMSME2707550.780.991.001.12
GLUTAMIC ACID,N,O,O-TMSME2707171.061.110.930.97
ASPARAGINE,N,N,O-TMSME2707060.911.081.050.97
VALINE,N,O-TMSME2707540.961.051.000.99
RIBOSE MEOX 4TMSME2707391.160.751.011.04
LYXOSE MEOX 4TMSME2707241.170.670.991.09
ARABINOSE MEOX 4TMSME2707041.170.681.001.08
XYLOSE MEOX 4TMSME2707561.170.690.991.09
LEUCINE,N,O-TMSME2707230.990.691.031.15
MANNOSE MEOX 5TMSME2707291.060.641.091.08
MALIC ACID 3TMSME2707261.230.930.871.04
OCTADECADIENOIC ACID, 9,-(Z,Z)-TMSME2707301.050.920.931.08
OCTADECATRIENOIC ACID, 9,,5-(Z,Z,Z)-TMSME2707321.060.940.951.04
RHAMNOSE MEOX 4TMSME2707370.440.481.501.13
ACONITIC ACID 3TMSME2707010.540.971.131.15
CITRIC ACID 4TMSME2707070.411.081.171.12
ISOCITRIC ACID 4TMSME2707220.391.071.181.13
GLUCONIC ACID 6TMSME2707130.570.721.331.08
SACCHARIC ACID 6TMSME2707400.450.761.401.06
SUCROSE 8TMSME2707480.450.761.381.00
GLUCOSE-6-PHOSPHATE MEOX-6TMSME2707150.710.991.260.92
GALACTURONIC ACID MEOX 5TMSME2707120.630.901.191.08
ASCORBIC ACID 4TMSME2707050.620.851.221.09
DEHYDROASCORBIC ACID DIMER TMSME2707080.570.861.241.09
GLYCINE,N,N,O-TMSME2707200.710.831.181.09
scyllo-INOSITOL 6TMSME2707420.770.801.131.12
ADIPIC ACID TMSME2707020.810.561.341.03
SALICIN-5TMSME2707410.610.581.161.31
XYLULOSE MEOX 4TMSME2707570.610.671.201.21
OCTADECANOIC ACID-TMSME2707310.880.791.071.11
UREA-TMSME2707520.920.821.161.00
SINAPIC ACID TMSME2707510.850.651.101.18
RAFFINOSE TMSME2707360.690.711.031.31
PROLINE,N,O-TMSME2707350.760.821.051.19
SORBITOL-6-PHOSPHATE-7TMSME2707450.780.800.991.24

Factors:

F1Treatments:control
F2Treatments:methyl jasmonate
F3Treatments:methyl jasmonate + pieris brassicae herbivory
F4Treatments:pieris brassicae herbivory
Data matrix
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