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Details of Acetoacetic acid; GC-EI-TOF; MS; RT:582.641 sec

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Role	Analyte
name	Acetoacetic acid; GC-EI-TOF; MS; RT:582.641 sec
MPIMP ID	A000478
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)	1,565.37
application/atom+xml	http://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%2747a37bb2-9fa1-4246-85dc-2b3fb57d276c%27)

Synonyms of Acetoacetic acid; GC-EI-TOF; MS; RT:582.641 sec

property	value
synonym	Acetoacetic acid; GC-EI-TOF; MS; RT:582.641 sec
1 synonym(s)

Metabolite mapped to Acetoacetic acid; GC-EI-TOF; MS; RT:582.641 sec

metabolite	stereoisomer	isotopomer
Acetoacetic acid		ambient
1 metabolite(s)

Reference spectra of Acetoacetic acid; GC-EI-TOF; MS; RT:582.641 sec

replica	entry date	detection	method	species
1	8/28/2012 5:51:49 PM		MassBank GC 2010 Tsujimoto
1 spectrum(a)

compound timestamp information
deposited	at 8/21/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
last changed	at 8/28/2012 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, Am Muehlenberg 1, D-14476 Golm, Germany
modified by users	Hummel J.

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