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Isoleucine (1TMS)

 

Replica Mass Spectra of Isoleucine (1TMS)

replicalib entry datedetectionmethodspecies
122 February 2005 MS-TOFM[STR] 
603 November 2010  Schomburg_GC_2010 
201 May 2001 MS-TOFM[EIGTMS]Solanum tuberosum
730 March 2011  Fiehn_GC_2010 
319 July 2007 MS-TOFVAR5Reference Substance
515 March 2005 MS-TOFM[6]Reference Substance
6 spectrum(a)
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Spectrum Details

analyteIsoleucine (1TMS)
analyte InChIInChI=1S/C9H21NO2Si/c1-6-7(2)8(10)9(11)12-13(3,4)5/h7-8H,6,10H2,1-5H3
analyte mass203.35
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 roleMETB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1.173,13 (predicted, according to Strehmel, N. et.al)
base peak (m/z)86
maximal intensity999
mass-intensity-peaks cardinality69 intensities
minimal m/z39
maximal m/z190
download JCAMP DXSpectrumJcampDx.ashx?id=e6aefb33-8e33-4f21-bd67-ab11665d92ee
download MSPSpectrumMsp.ashx?id=e6aefb33-8e33-4f21-bd67-ab11665d92ee

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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