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Acetoacetic acid (1MEOX) (1TMS) BP

 

Replica Mass Spectra of Acetoacetic acid (1MEOX) (1TMS) BP

replicalib entry datedetectionmethodspecies
119 July 2007 MS-TOFVAR5Reference Substance
219 July 2007 MS-TOFMDN35Reference Substance
430 March 2011  Fiehn_GC_2010 
3 spectrum(a)
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Spectrum Details

analyteAcetoacetic acid (1MEOX) (1TMS) BP
analyte InChIInChI=1S/C8H17NO3Si/c1-7(9-11-2)6-8(10)12-13(3,4)5/h6H2,1-5H3/b9-7-
analyte mass203.31
chromatogram10300xx_01
citationNA
authorsJäger C, Schomburg D Department of Bioinformatics and Biochemistry, Technische Universität Carolo-Wilhelmina Braunschweig, Langer Kamp 19B, D-38106 Braunschweig, Germany
lib entry date03 November 2010
metabolite role 
retention time (sec)10.6
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality135 intensities
minimal m/z45
maximal m/z222
download JCAMP DXSpectrumJcampDx.ashx?id=bdd4c7f2-dea0-454c-99a2-d338b5d98c7c
download MSPSpectrumMsp.ashx?id=bdd4c7f2-dea0-454c-99a2-d338b5d98c7c

GC-Method

nameSchomburg_GC_2010
citation 
no method details available

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