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Malonic acid (3TMS)

 

Replica Mass Spectra of Malonic acid (3TMS)

replicalib entry datedetectionmethodspecies
430 March 2011  Fiehn_GC_2010 
212 May 2005  M[NIST] 
319 July 2007 MS-TOFVAR5Reference Substance
3 spectrum(a)
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Spectrum Details

analyteMalonic acid (3TMS)
analyte InChIInChI=1S/C12H28O4Si3/c1-17(2,3)14-11(13)10-12(15-18(4,5)6)16-19(7,8)9/h10H,1-9H3
analyte mass320.61
chromatogram4086ED52
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 roleMST
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1,391.68 (predicted, according to Strehmel, N. et.al)
base peak (m/z)147
maximal intensity999
mass-intensity-peaks cardinality88 intensities
minimal m/z85
maximal m/z321
download JCAMP DXSpectrumJcampDx.ashx?id=054f4f20-823a-4df0-bb66-a8c3d9956008
download MSPSpectrumMsp.ashx?id=054f4f20-823a-4df0-bb66-a8c3d9956008

GC-Method

nameM[FAME4090]
citation 
attributetextdetails
ion sourceEI 

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