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Nonanoic acid (1TMS)

 

Replica Mass Spectra of Nonanoic acid (1TMS)

replicalib entry datedetectionmethodspecies
107 September 2004 MS-TOFM[6]Standard Addition
226 November 2004  M[FAME4090]Standard
319 July 2007 MS-TOFVAR5Reference Substance
512 May 2005  M[NIST] 
601 May 2003 MS-QuadM[2]Spathodea campanulata P. Beauv.
722 February 2005 MS-TOFM[STR] 
812 May 2005  M[NIST] 
911 September 2005  M[FAME4090]Standard
1303 November 2010  Schomburg_GC_2010 
1025 January 2005 MS-TOFM[MOR] 
13 spectrum(a)
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Spectrum Details

analyteNonanoic acid (1TMS)
analyte InChIInChI=1S/C12H26O2Si/c1-5-6-7-8-9-10-11-12(13)14-15(2,3)4/h5-11H2,1-4H3
analyte mass230.42
chromatogramNA(_46)
citationStrelkov S, von Elstermann M, Schomburg D (2004) Biological Chemistry 385, 853-861
authorsStrelkov S, University of Cologne, CUBIC - Institute of Biochemistry, Department Prof. Schomburg, Zuelpicher Str. 47, D-50674 Cologne, Germany
lib entry date22 February 2005
metabolite roleCONT-METB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1.359,67 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality122 intensities
minimal m/z39
maximal m/z231
download JCAMP DXSpectrumJcampDx.ashx?id=9b2c7201-6115-44a4-8644-61acc3507ffe
download MSPSpectrumMsp.ashx?id=9b2c7201-6115-44a4-8644-61acc3507ffe

GC-Method

nameM[STR]
citationStrelkov S, von Elstermann M, Schomburg D (2004) Biological Chemistry 385, 853-861
attributetextdetails
detectorMS-TOF 
ion sourceEI70eV
RIALKANEC10, C12, C15, C19, C22, C28, C32, C36
separationGCDB-5MS column (30m x 0.25µm) from J&W Scientific (Folsom, USA)

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