Clustering data with hclust algorithm for (Study ST000044)

(Analysis AN000068)
MetaboliteStructureF1F2F3
5`-DEOXYADENOSINEME6471900.155.330.48
HEPTADECANOYLGLYCEROPHOSPHOCHOLINE (*)ME6473470.042.170.02
ADENOSINE DIPHOSPHATEME6472110.261.74NA
THYROXINEME6475120.332.00NA
PENTADECANOYLGLYCEROPHOSPHOCHOLINE/STEAROYLGLYCEROPHOSPHOETHANOLAMINE (*)ME6474470.021.960.06
CYTIDINEME6472740.051.950.06
TRIMETHYLAMINEME6475140.051.960.04
TRYPTAMINEME6475150.041.890.17
PARAOXON-METHYLME647446NA1.840.16
1-METHYLADENOSINEME647131NA1.880.12
MONO-METHYL GLUTARATEME647393NA1.860.14
MYRISTOYLGLYCEROPHOSPHOCHOLINE (*)ME6473940.011.860.03
6,7-DIHYDROBIOPTERINME647200NA1.910.09
OLEOYLGLYCEROPHOSPHOCHOLINE (*)ME6474320.041.860.09
BIOPTERINME647231NA1.690.31
MALEAMATEME647380NA1.760.24
LINOLEOYLGLYCEROPHOSPHOCHOLINE (*)ME6473740.141.720.21
PALMITOYLGLYCEROPHOSPHOCHOLINE (*)ME6474430.261.780.30
CORTISOL 21-ACETATEME6472640.521.48NA
FLAVIN ADENINE DINUCLEOTIDEME6473200.431.28NA
THIAMINE PYROPHOSPHATEME6475060.481.26NA
GLYCINEME6473370.311.35NA
PALMITOLEOYLGLYCEROPHOSPHOCHOLINE (*)ME6474400.221.350.01
PYRIDOXALME647469NA1.660.00
THYROTROPIN RELEASING HORMONEME6475110.061.47NA
CYTIDINE 2`,3`-CYCLIC MONOPHOSPHATE (CCMP)ME647275NA1.160.37
HEXITOLME647348NA1.300.41
PTERINME6474670.171.390.27
N-ALPHA-ACETYL-L-ASPARAGINEME647414NA1.550.18
CREATININE FROM COMPLEXME647269NA1.360.28
QUINOLINEME647472NA1.410.18
UROBILIN (*)ME647530NA1.400.20
1-OLEOYL-RAC-GLYCEROLME6471340.632.290.08
CREATININEME6472680.702.190.41
METHYL BETA-D-GALACTOSIDEME6473850.282.500.97
PHOSPHOCHOLINEME6474550.252.091.04
ACETYLCHOLINEME6472040.421.830.74
VALINEME6475330.391.770.84
2`-DEOXYGUANOSINEME6471410.411.960.63
TYROSINEME6475190.311.920.76
3-METHYLHISTAMINEME6471730.212.000.79
METHIONINEME6473830.272.040.69
CERAMIDE PHOSPHOCHOLINE (*)ME6472510.091.780.55
BRADYKININ HYDROXY-PRO(3) (*)ME6472450.051.980.66
2`-DEOXYGUANOSINE 5`-MONOPHOSPHATEME6471430.052.010.43
LAUROYLCARNITINEME6473710.071.970.49
OLEOYLCARNITINE (*)ME6474310.041.920.48
DEOXYURIDINEME6472850.352.060.27
SPHINGOSINE (*)ME6474940.102.160.51
5-HYDROXY-L-TRYPTOPHANME6471950.082.290.44
LEUCINEME6473730.172.320.52
ADENINEME6472050.212.280.51
CYTIDINE 5`-MONOPHOSPHATEME6472780.202.310.49
GUANOSINEME6473420.462.230.54
LYSINEME6473780.352.250.41
CHOLINEME6472560.242.200.57
NICOTINAMIDEME6474190.242.190.57
ALANINEME6472120.312.170.52
CREATINEME6472670.332.190.48
PHENYLALANINEME6474520.183.700.47
ORNITHINEME6474360.522.880.42
BRADYKININ (*)ME6472430.403.010.73
S-ADENOSYL METHIONINEME6474790.292.980.55
ISOLEUCINEME6473690.082.740.18
TRYPTOPHANME6475160.092.680.23
3`-CMPME6471650.212.610.38
PALMITOYLCARNITINE (*)ME6474420.032.520.32
ADENOSINEME6472060.082.520.40
S-ADENOSYL-L-HOMOCYSTEINEME6474800.052.570.38
ADENOSINE 5`-MONOPHOSPHATE (*)ME6472100.162.520.27
5-Aminoimidazole ribotide (*)ME6471920.102.590.31
N(PAI)-METHYL-L-HISTIDINEME6473950.152.610.24
2`-DEOXYCYTIDINEME6471390.113.050.27
PANTOTHENIC ACIDME6474450.083.070.36
NICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATEME6474210.132.73NA
SPERMIDINEME6474910.022.950.04
HISTIDINEME6473530.092.870.04
ADENOSINE 5`-MONOPHOSPHATEME6472090.032.880.08
NICOTINAMIDE ADENINE DINUCLEOTIDEME6474200.022.850.13
LUMICHROMEME6473771.782.010.30
DIACYL-GLYCEROPHOSPHOCHOLINE (C50H82NO8P PROBABLY)ME6472890.811.19NA
CADAVERINEME6472461.290.90NA
GAMMA-BUTYROLACTONEME6473231.050.95NA
NICOTINAMIDE MONONUCLEOTIDEME6474220.120.952.87
DEOXYCHOLATEME6472822.900.070.68
GUANOSINE 3`,5`-CYCLIC MONOPHOSPHATEME6473432.410.30NA
DIPALMITOYLGLYCEROL (*)ME6473042.360.130.51
HEXOSEME6473492.450.110.44
2-AMINO-2-DEOXYHEXOPYRANOSEME6471451.070.741.38
HOMOCYSTEINEME6473551.000.761.47
MANNOSE-6-PHOSPHATEME6473810.760.701.26
3,4-DIHYDROXY-L-PHENYLALANINEME6471610.830.631.18
DESMOSTEROLME6472860.840.621.27
6-HYDROXYNICOTINATEME6472020.971.070.92
N-ACETYL-DL-GLUTAMIC ACIDME6474030.951.110.98
BIS(2-ETHYLHEXYL)PHTHALATEME6472331.061.030.94
L-LEUCYL-L-LEUCINE (*)ME6473760.980.991.02
12-HYDROXY-DODECANOIC ACIDME6471301.080.831.05
CYSTINEME6472731.110.831.00
GLUTAMINEME6473291.200.671.08
URIDINEME6475251.160.741.10
OROTIDINE 5`-MONOPHOSPHATEME6474370.720.851.36
PIPECOLIC ACIDME6474610.710.901.39
CHOLESTEROL (-H20)ME6472540.650.981.38
PROLINEME6474640.620.951.43
ETHYL 3-INDOLE ACETATEME6473160.711.021.26
BOC-SER-OHME6472420.790.971.24
SEROTONINME6474860.850.981.18
3-HYDROXY-DL-KYNURENINEME6471700.360.911.24
DOCOSAHEXAENOIC ACIDME6473060.440.891.18
BILIVERDINME6472300.491.051.29
O-ACETYL-L-CARNITINEME6474280.441.261.24
PALMITOYL SPHINGOMYELIN (*)ME6474410.551.201.24
CORTICOSTERONEME6472620.610.941.71
N-ACETYL-L-ASPARTIC ACIDME6474070.550.731.65
GLYCOCHOLATEME6473380.630.701.53
O-PHOSPHO-DL-SERINEME6474330.670.771.56
CYTIDINE 5`-DIPHOSPHOCHOLINEME6472770.140.911.52
KYNURENINEME6473700.340.881.78
GLYCOLITHOCHOLIC ACID ETHYL ESTERME6473390.351.031.59
SERINEME6474850.421.001.58
ASCORBATEME6472220.681.230.40
STEAROYL SPHINGOMYELIN (*)ME6474970.871.510.66
CYTIDINE 5`-DIPHOSPHATEME6472760.841.260.64
TESTOSTERONEME6475030.701.360.58
NORMETANEPHRINEME6474270.761.770.86
ADENOSINE 3`,5`-CYCLIC MONOPHOSPHATEME6472080.411.520.77
DIETHYL AMINOMALONATEME6472930.621.660.72
N,N,N-TRIMETHYLLYSINEME6473960.561.660.78
HYPOXANTHINEME6473610.381.591.02
ASCORBATE (-H)ME6472230.391.481.13
DEHYDROASCORBATEME6472800.401.471.13
INOSINEME6473660.571.411.02
N-ALPHA-ACETYL-L-LYSINEME6474150.621.351.03
CARNITINEME6472490.601.460.94
INDOLEPYRUVATE (*)ME6473640.631.501.03
THIAMINE MONOPHOSPHATEME6475050.801.141.05
DIMETHYLARGININE (*)ME6473000.611.201.09
METHYLIMIDAZOLEACETIC ACID (*)ME6473900.651.291.11
CARNOSINEME647250NA1.340.66
GLUCOSAMINE 6-SULFATEME647327NA1.310.69
LL-2,6-DIAMINOHEPTANEDIOATEME647375NA1.230.77
THIAMINEME647504NA1.140.71
N6-(DELTA2-ISOPENTENYL)-ADENINEME6474010.081.271.11
3,3`,5-TRIIODO-L-THYRONINEME647158NA0.931.07
ALLANTOINME647213NA0.941.06
ESTRADIOL 17 ALPHAME647313NA1.090.91
3BETA-HYDROXY-5ALPHA-PREGNAN-20-ONEME647167NA1.040.96
GLUCOSAMINE 6-PHOSPHATEME647326NA1.010.99
5`-METHYLTHIOADENOSINEME6471910.101.721.32
N-ACETYL-D-HEXOSAMINEME6474020.271.731.24
2`-DEOXYGUANOSINE 5`-DIPHOSPHATEME6471420.261.431.31
SPHINGANINEME6474920.161.221.41
DIHYDROOROTATEME647295NA0.601.81
N-METHYLTYRAMINE (*)ME647424NA0.581.84
BIOTINME647232NA0.611.39
SALSOLINOLME647483NA0.461.36
CYTOSINEME6472790.20NA1.40
3ALPHA-HYDROXY-5BETA-CHOLANATEME6471660.23NA1.39
3-METHOXY-L-TYROSINEME6471710.25NA1.38
BRADYKININ DES-ARG(9) (*)ME6472440.50NA1.84
DIMETHYL MALEATEME6472990.53NA1.93
2`-DEOXYADENOSINEME6471370.290.191.75
N-ACETYL-DL-METHIONINEME6474040.43NA1.57
GLUTATHIONE OXIDIZEDME6473320.26NA1.74
N-ACETYL-L-ALANINEME6474060.33NA1.67
SQUALENEME6474950.35NA1.65
INDOLE-3-ACETIC ACIDME6473630.610.121.68
SUBERIC ACIDME6474980.620.031.58
TAURINEME6475010.660.031.59
HOMOVANILLATEME6473590.60NA1.40
PIMELIC ACIDME6474600.53NA1.47
XANTHURENIC ACIDME6475390.55NA1.45
N-ACETYLNEURAMINATEME6474110.710.101.44
N-ACETYLSEROTONINME6474130.77NA1.47
ISOCITRIC ACIDME6473680.73NA1.54
CYCLOHEXANE-1,3-DIONEME6472700.67NA1.49
N-ACETYL-L-LEUCINEME6474090.68NA1.48
EDTAME6473080.41NA1.29
XANTHOSINEME6475380.49NA1.25
PHENYLACETYLGLUTAMINE (*)ME6474510.730.061.31
N4-ACETYLCYTIDINE (*)ME6474000.65NA1.35
TRANS-CYCLOHEXANE-1,2-DIOLME6475130.66NA1.34
HIPPURATEME6473510.72NA1.28
O-PHOSPHONOHEXOPYRANOSEME6474340.69NA1.31
RETINALME6474740.70NA1.30
BOC-HIS-OHME6472390.71NA1.19
BETAINEME6472290.58NA1.21
3-(2-HYDROXYPHENYL)PROPANOATEME6471550.62NA1.19
RIBOSE 5-PHOSPHATEME6474770.64NA1.18
4-ACETAMIDOBUTANOATEME6471760.510.431.62
AMINOHYDROXYBUTANOIC ACIDME6472180.950.291.58
ASPARAGINEME6472240.890.441.52
3-UREIDOPROPIONIC ACIDME6471750.680.321.44
OPHTHALMIC ACIDME6474350.750.311.60
CITRATEME6472590.760.352.45
GLUCOSE-6-PHOSPHATEME6473280.530.392.69
EDTA (*)ME6473090.44NA2.11
N1-METHYL-2-PYRIDONE-5-CARBOXAMIDE (*)ME6473980.410.042.27
OLEAMIDEME6474300.450.062.27
MALATEME6473790.860.102.03
GLUTATHIONEME6473310.650.002.10
XANTHINEME6475370.740.082.19
CITRAMALATEME6472580.840.561.92
PIPERINE (*)ME6474620.630.432.18
VITAMIN D3ME6475360.610.652.13
O-SUCCINYL-L-HOMOSERINEME6474380.430.262.03
2-DEOXY-D-GLUCOSEME6471470.610.461.93
AZELAIC ACIDME6472260.470.431.94
PANTOLACTONEME6474441.520.250.80
[13C]-LYSINEME6471181.470.240.91
PHOSPHOCREATINEME6474561.400.250.96
PROTOPORPHYRINME6474661.68NA0.66
RAFFINOSEME6474731.640.070.83
[13C]-GLUTAMATEME6471141.580.030.90
[13C]-THREONINEME6471221.580.040.90
[13C]-ARGININEME6471121.870.061.07
[13C]-PROLINEME6471211.710.071.22
ALPHA-TOCOPHEROLME6472161.630.121.56
[13C]-LEUCINEME6471171.440.161.40
[13C]-PHENYLALANINEME6471201.400.191.41
[13C]-TYROSINEME6471231.530.101.37
[13C]-VALINEME6471241.570.121.31
METHYL JASMONATEME6473861.350.421.23
PROMETRYNME6474651.030.601.34
STACHYOSEME6474961.070.611.32
BOC-PHE-OHME6472401.190.531.28
N-BENZYLOXYCARBONYLGLYCINEME6474171.140.601.26
1-METHYLNICOTINAMIDEME6471321.140.421.44
CORTISOLME6472631.200.441.26
FRUCTOSE 1,6-BIPHOSPHATEME6473221.090.371.27
BOC-ALA-OHME6472351.120.211.07
[13C]-ISOLEUCINEME6471161.230.141.20
PHOSPHATEME6474531.130.131.16
RETINOLME6474760.970.201.42
[13C]-METHIONINEME6471191.050.201.32
URATEME6475221.100.161.38
ESTRONEME6473151.190.131.48
ARG-VAL-TRPME6472211.240.271.49
[13C]-ASPARTIC ACIDME6471131.320.301.37
DEOXYCORTICOSTERONEME6472831.290.301.41
CINNAMOYLGLYCINE (*)ME6472570.99NA1.01
ANTHRANILATEME6472201.00NA1.00
SELENOCYSTAMINEME6474841.00NA1.00
ENKEPHALINE, (D-ALA)2-LEUME6473101.02NA0.96
GLUTARATEME6473301.02NA0.98
URSODIOLME6475321.02NA0.98
CAPECITABINEME6472480.98NA1.02
GLUCARIC/GULARIC/SACCHARIC ACIDME6473250.96NA1.02
PHOSPHO(ENOL)PYRUVIC ACIDME6474540.96NA1.02
NICOTINATE D-RIBONUCLEOSIDE (*)ME6474230.97NA1.03
UREAME6475240.97NA1.03
3,4-DIHYDROXYBENZOATEME6471600.97NA1.04
COENZYME AME6472610.96NA1.04
SALICYLIC ACIDME6474820.95NA1.09
ALPHA-LIPOAMIDEME6472150.96NA1.07
BOC-ASNME6472360.95NA1.05
GUANINEME6473410.94NA1.06
2,6-DIHYDROXYPYRIDINEME6471350.88NA1.25
GLYCERIC ACIDME6473340.87NA1.06
5-HYDROXYPENTANOIC ACIDME6471970.92NA1.12
HYDROXYBENZALDEHYDEME6473600.89NA1.11
TRYPTOPHAN BETAINE (*)ME6475170.90NA1.13
FERULATEME6473190.89NA1.16
URIDINE 5`-DIPHOSPHATEME6475260.87NA1.13
4-HYDROXYBENZALDEHYDEME6471850.84NA1.16
2-METHYLGLUTARIC ACIDME6471510.82NA1.18
PREGNENOLONEME6474630.81NA1.19
QUINOLIN-2-OLME6474710.81NA1.19
11-BETA-HYDROXYANDROST-4-ENE-3,17-DIONEME6471280.82NA1.09
CHOLESTA-5,7-DIEN-3BETA-OLME6472520.78NA1.11
UROCANATEME6475311.44NA0.56
DIMETHYLXANTHINEME6473021.40NA0.70
SHIKIMATEME6474881.35NA0.65
DIHEXOSEME6472941.40NA0.60
N-ACETYL-D-TRYPTOPHANME6474051.38NA0.62
ASPARTATEME6472251.23NA0.65
PENTITOLME6474481.20NA0.61
QUINATEME6474701.19NA0.61
DIHYDROXYBENZOIC ACIDME6472971.30NA0.70
INDOLE-3-ACETAMIDEME6473621.26NA0.74
4-GUANIDINOBUTANOIC ACIDME6471801.36NA0.82
DEOXYRIBOSEME6472841.30NA0.85
DI-TERT-BUTYL DICARBONATEME6473051.26NA0.87
FORMYL-L-METHIONINEME6473211.08NA0.96
URIDINE-5-MONOPHOSPHATEME6475291.05NA0.95
4-HYDROXY-3-METHOXY-BENZENEMETHANOLME6471811.06NA0.94
4-HYDROXY-3-METHOXYPHENYLGLYCOLME6471841.06NA0.94
BOC-ASP-OHME6472371.08NA0.94
N-CYCLOHEXYLFORMAMIDEME6474181.08NA0.92
NORADRENALINEME6474261.14NA0.86
2-HYDROXYPHENYLACETIC ACIDME6471501.14NA0.86
N-ACETYL-L-PHENYLALANINEME6474101.14NA0.86
ETHYLMALONIC ACIDME6473181.13NA0.87
INDOXYLME6473651.13NA0.87
ETHYL 4-OXOCYCLOHEXANECARBOXYLATEME6473171.07NA0.87
2-HYDROXYBUTYRIC ACIDME6471491.12NA0.89
METHYL PARABENME6473871.11NA0.89
SALICYLAMIDEME6474811.10NA0.90
2`,4`-DIHYDROXYACETOPHENONEME6471361.10NA0.90
METHYL VANILLATEME6473881.10NA0.90
3,5-DIIODO-L-THYRONINEME6471641.09NA0.91
PYRIDINE CARBOXYLIC ACIDME6474681.09NA0.91
N-OLEOYLGLYCINEME6474251.23NA0.77
4-METHYL-2-OXOPENTANOATEME6471871.21NA0.79
PHENYLACETIC ACIDME6474501.21NA0.79
2-METHYLMALEATEME6471521.19NA0.81
CITRULLINEME6472601.20NA0.80
PHTHALATEME6474591.13NA0.74
CORTISONEME6472651.14NA0.79
THYMIDINEME6475081.10NA0.80
GLYCEROL PHOSPHATEME6473351.490.51NA
RETINOATEME6474751.160.36NA
METHYL ACETOACETATEME6473841.30NA0.11
ERYTHRITOLME6473121.65NA0.35
4-METHYLCATECHOLME6471881.52NA0.48
SUCCINATE (*)ME6475001.55NA0.45
DIOLEOYLPHOSPHATIDYLCHOLINEME6473032.200.460.94
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE (POSSIBLY)ME6472981.790.700.51
ESTRIOL (*)ME6473141.790.820.65
HEXOSE (M+K)ME6473501.500.830.67
HISTAMINEME6473521.420.850.73
10-HYDROXYDECANOATEME6471271.590.690.89
CHOLESTEROLME6472531.540.510.95

Factors:

F1Pancreas tissue type:Normal area of the pancreas with tumor
F2Pancreas tissue type:Normal pancreas
F3Pancreas tissue type:Pancreas tumor
Data matrix
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