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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
605 June 2013  MRI_2013 
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
chromatogram4084EA25
citation 
authorsFiehn O, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date26 November 2004
metabolite roleMETB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1,203.11 (predicted, according to Strehmel, N. et.al)
base peak (m/z)89
maximal intensity999
mass-intensity-peaks cardinality95 intensities
minimal m/z85
maximal m/z219
download JCAMP DXSpectrumJcampDx.ashx?id=50b4eb99-fada-45e9-9aee-0bec5fca0e5c
download MSPSpectrumMsp.ashx?id=50b4eb99-fada-45e9-9aee-0bec5fca0e5c

GC-Method

nameM[FAME4090]
citation 
attributetextdetails
ion sourceEI 

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