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Details of [12511] 1,4-cyclohexanedione 1 [10.212]

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Role	Analyte
name	[12511] 1,4-cyclohexanedione 1 [10.212]
MPIMP ID	A128014
isotopomer	ambient
formula
molecular mass
monoisotopic mass
InChI
InChIKey
substructure TMS
substructure TBS
substructure H3ON
substructure CH3O
retention index (VAR5 method, n-alkanes C10–C36)	1,280.83
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%27b12d321b-3e97-45b8-a678-3a9e85dbfe2f%27)

Synonyms of [12511] 1,4-cyclohexanedione 1 [10.212]

property	value
Manual Interpretation [JKopka]	Cyclohexane-1,4-dione (2MEOX) MP\|JKopka\|C8H14N2O2\|authenticated reference required\|METB:C6H8O2
synonym	[12511] 1,4-cyclohexanedione 1 [10.212]
2 synonym(s)

Metabolite mapped to [12511] 1,4-cyclohexanedione 1 [10.212]

metabolite	stereoisomer	isotopomer
1,4-cyclohexanedione		ambient
1 metabolite(s)

Reference spectra of [12511] 1,4-cyclohexanedione 1 [10.212]

replica	entry date	detection	method	species
1	3/30/2011 4:52:37 PM		Fiehn_GC_2010
1 spectrum(a)

compound timestamp information
deposited	at 3/28/2011 by Kopka J., Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 8/9/2011 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Kopka J., Hummel J.

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