Clustering data with hclust algorithm for IROA feasibility project; plasticizers as obesogens in zebrafish (Study ST000556)

UHPLC POSITIVE ION MODE (Analysis AN000853)
MetaboliteStructureF1F2
ErucamideME1667821.390.61
HEXOSE-DISACCHARIDEME1667861.280.72
L-LYSINEME1667981.270.73
URACILME1668270.761.24
Leu ProME1667921.190.81
5-Hydroxymethyl-2-furaldehydeME1667561.100.90
ADENINEME1667591.140.86
NEPSILON,NEPSILON,NEPSILON-TRIMETHYLLYSINEME1668131.120.88
PHENETHYLAMINEME1668171.130.87
D-(+)-RAFFINOSEME1667761.130.87
ERYTHRITOLME1667831.130.87
L-CYSTATHIONINEME1667911.050.95
Dipropylene glycolME1667791.050.95
4-GUANIDINOBUTANOATEME1667541.050.95
DEOXYCYTIDINEME1667771.050.95
ALDO/KETO-HEXOSEME1667601.040.96
Triethyl phosphateME1668241.040.96
PEG n5ME1668160.981.02
N-BOC-L-Tryptophan_R1ME1668100.981.02
5-METHYLCYTOSINE HYDROCLORIDEME1667570.981.02
Dibutyl phthalateME1667780.981.02
L-2-PHOSPHOGLYCERIC ACIDME1667890.971.03
N-BOC-L-Tryptophan_R2ME1668110.971.03
THREONINE/HOMOSERINEME1668230.991.01
L-Phenylalanine 13C6ME1667990.991.01
L-Leucine-D10ME1667970.991.01
L-GLUTAMINEME1667950.991.01
2,4-DIHYDROXYPTERIDINEME1667480.991.01
BOC-D-Phenylalanine_R1ME1667660.991.01
Tetrahydrothiophene-1-oxideME1668221.001.00
PYRIDOXALME1668201.001.00
N-BOC-L-Aspartic Acid_R1ME1668071.001.00
METHYL JASMONATEME1668041.001.00
L-Tyrosine 13C6ME1668021.001.00
L-Leucine 13C6ME1667961.001.00
Dipropyleneglycol dibenzoateME1667801.001.00
CholineME1667711.001.00
BOC-L-Tyrosine_R2ME1667691.001.00
BETAINE_R2ME1667641.001.00
BOC-D-Phenylalanine_R2ME1667671.001.00
Tryptophan-2,3,3-D3ME1668261.010.99
N-BOC-L-tert-LeucineME1668091.010.99
N-BOC-L-Aspartic Acid_R2ME1668081.010.99
Monobutyl phthalateME1668051.010.99
L-Tryptophan 13C11ME1668011.010.99
GLYCEROLME1667841.010.99
Creatine-D3ME1667741.010.99
Caffeine-D3ME1667701.010.99
BOC-L-Tyrosine_R1ME1667681.010.99
3,5-Di-tert-butylbenzaldehydeME1667521.010.99
2-Aminonicotinic acidME1667491.010.99
2-HydroxyphenylalanineME1667501.010.99
N-ButylbenzenesulfonamideME1668121.020.98
SulcatolME1668211.020.98
PhenylalanineME1668180.931.07
GUANINEME1667850.931.07
Bis(2-ethylhexyl) phthalateME1667650.931.07
CITRULLINEME1667720.931.07
URIDINEME1668290.941.06
D-RiboseME1667810.941.06
Methionine SulfoxideME1668030.941.06
TryptophanME1668250.951.05
5-OXO-L-PROLINEME1667580.951.05
CYTIDINEME1667750.951.05
URATEME1668280.961.04
IsocytosineME1667880.961.04
LEUCINE_R1ME1667930.961.04
4-AMINOBUTANOATE (GABA)ME1667530.861.14
NICOTINAMIDEME1668140.881.12
N-ACETYL-L-ASPARTIC ACIDME1668060.871.13
5-AMINOLEVULINIC ACIDME1667550.871.13
LEUCINE_R2ME1667940.871.13
PHOSPHOCHOLINEME1668190.891.11
N-METHYL-D-ASPARTIC ACIDME1668150.891.11
HYPOXANTHINEME1667870.891.11
3,4-DIHYDROXY-L-PHENYLALANINEME1667510.891.11
ALPHA-AMINOADIPATE/N-METHYL-L-GLUTAMATEME1667620.891.11
BETAINE_R1ME1667630.901.10
L-PROLINEME1668000.901.10
L-CARNITINEME1667900.921.08
AllopurinolME1667610.911.09
CREATINEME1667730.911.09

Factors:

F1Chemical Treatment:DEHP
F2Chemical Treatment:DMSO
Data matrix
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