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

UHPLC NEGATIVE ION MODE (Analysis AN000854)
MetaboliteStructureF1F2
DISACCHARIDE (6C/6C)/2-alpha-D-glucosyl-D-glucoseME1668471.550.45
Ascorbic acidME1668350.791.21
D-GLUCURONIC ACID/D-GLUCURONOLACTONE/D-(+)-GALACTURONIC ACIDME1668450.761.24
URACILME1668830.761.24
N-ACETYLNEURAMINATEME1668681.090.91
C12H22O11-DISACCHARIDE-(6C/6C; GLC-GLC/GLC-FRC/GAL-GLC)ME1668391.170.83
CITRATEME1668421.150.85
XANTHINEME1668861.060.94
DIHYDROXYACETONE PHOSPHATEME1668461.040.96
GlyceraldehydeME1668511.030.97
THREONINE/HOMOSERINEME1668801.030.97
Tryptophan-2,3,3-D3ME1668821.001.00
Salicylic Acid-D4ME1668751.001.00
N-BOC-L-Aspartic Acid_R2ME1668701.001.00
Monobutyl phthalateME1668661.001.00
L-TYROSINEME1668621.001.00
L-Phenylalanine-13C6ME1668601.001.00
CITRIC ACID-13C6ME1668431.001.00
BOC-L-Tyrosine_R2ME1668381.001.00
3-methyladipic acidME1668311.001.00
BOC-L-Tyrosine_R1ME1668371.001.00
SUCCINIC ACID-13C4ME1668780.991.01
N-BOC-L-Aspartic Acid_R1ME1668690.991.01
L-Tyrosine-13C6ME1668630.991.01
CITRAMALATEME1668410.991.01
GLUCOSE/FRUCTOSEME1668500.991.01
GLYCEROL 2-PHOSPHATE/SN-GLYCEROL 3-PHOSPHATEME1668531.020.98
N-BOC-L-tert-Leucine_R2ME1668721.010.99
N-BOC-L-tert-Leucine_R1ME1668711.010.99
Mono-(2-Ethylhexyl) PhthalateME1668651.010.99
L-GLUTAMINEME1668591.010.99
L-Tryptophan-13C11ME1668611.010.99
ASPARTATEME1668360.971.03
N-BOC-L-Tryptophan_R2ME1668740.981.02
N-BOC-L-Tryptophan_R1ME1668730.981.02
3-HYDROXY-3-METHYLGLUTARATEME1668300.981.02
3-tert-Butyladipic acidME1668320.981.02
TryptophanME1668810.951.05
URATEME1668840.961.04
4-oxoprolineME1668340.961.04
GLYCERALDEHYDE/LACTATEME1668520.961.04
L-2-PHOSPHOGLYCERIC ACIDME1668560.941.06
D-SACCHARIC ACIDME1668480.931.07
URIDINEME1668850.931.07
SARCOSINE/BETA-ALANINEME1668760.901.10
C6H12O6-HEXOSE/KETOSE/INOSITOLME1668400.921.08
SUCCINATEME1668770.921.08
TAURINEME1668790.911.09
CREATINEME1668440.911.09
GUANINEME1668540.911.09
N-ACETYL-L-ASPARTIC ACIDME1668670.861.14
HYPOXANTHINEME1668550.871.13
L-GLUTAMIC ACIDME1668580.881.12
4-HYDROXYBENZALDEHYDEME1668330.821.18
Fumaric AcidME1668490.821.18
L-CARNITINEME1668570.841.16
MALATEME1668640.841.16

Factors:

F1Chemical Treatment:DEHP
F2Chemical Treatment:DMSO
Data matrix
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