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Details of Acetoacetic acid (1MEOX) (1TMS) MP

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Role Analyte
nameAcetoacetic acid (1MEOX) (1TMS) MP
MPIMP IDA112001
isotopomerambient
formulaC8H17NO3Si
molecular mass203.311
monoisotopic mass203.09777
InChIInChI=1S/C8H17NO3Si/c1-7(9-11-2)6-8(10)12-13(3,4)5/h6H2,1-5H3/b9-7+
InChIKeyOFIPRVOCLLHQHI-VQHVLOKHSA-N
substructure TMS1
substructure TBS0
substructure H3ON1
substructure CH3O0
retention index (VAR5 method, n-alkanes C10–C36)1,123.54
application/atom+xmlhttp://gmd.mpimp-golm.mpg.de/REST/gmd.svc/Analyte(guid%274c539bcb-e1c8-4cfe-ab0b-410f4f52f263%27)

Synonyms of Acetoacetic acid (1MEOX) (1TMS) MP

Metabolite mapped to Acetoacetic acid (1MEOX) (1TMS) MP

Reference spectra of Acetoacetic acid (1MEOX) (1TMS) MP

replicaentry datedetectionmethodspecies
43/30/2011 4:52:37 PM Fiehn_GC_2010 
17/19/2007 11:16:30 AM VAR5Reference Substance
27/19/2007 11:16:30 AM MDN35Reference Substance
311/3/2010 4:21:35 PM Schomburg_GC_2010 
4 spectrum(a)
compound timestamp information
deposited at 7/16/2007 by Hummel J., Max Planck Institute of Molecular Plant Physiology, Bioinformatics, 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 Hummel J.
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