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Isocaproic acid, 2-oxo- (1MEOX) (1TMS) MP

 

Replica Mass Spectra of Isocaproic acid, 2-oxo- (1MEOX) (1TMS) MP

replicalib entry datedetectionmethodspecies
126 November 2004  M[FAME4090]Standard
528 August 2012  MassBank GC 2010 Ara 
430 March 2011  Fiehn_GC_2010 
219 July 2007 MS-TOFVAR5Reference Substance
325 January 2005 MS-TOFM[MOR] 
5 spectrum(a)
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Spectrum Details

analyteIsocaproic acid, 2-oxo- (1MEOX) (1TMS) MP
analyte InChIInChI=1S/C10H21NO3Si/c1-8(2)7-9(11-13-3)10(12)14-15(4,5)6/h8H,7H2,1-6H3/b11-9-
analyte mass231.36
chromatogram10300xx_41
citationNA
authorsKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date05 June 2013
metabolite role 
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1,199.54 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity130,289
mass-intensity-peaks cardinality253 intensities
minimal m/z60
maximal m/z550
download JCAMP DXSpectrumJcampDx.ashx?id=aeb3e031-91f0-4601-a4da-50b0d88fb1ba
download MSPSpectrumMsp.ashx?id=aeb3e031-91f0-4601-a4da-50b0d88fb1ba

GC-Method

nameMRI_2013
citation 
no method details available

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