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Valine (1TMS)

 

Replica Mass Spectra of Valine (1TMS)

replicalib entry datedetectionmethodspecies
122 February 2005 MS-TOFM[STR] 
905 June 2013  MRI_2013 
603 November 2010  Schomburg_GC_2010 
212 May 2005  M[NIST] 
730 March 2011  Fiehn_GC_2010 
828 August 2012  MassBank GC 2010 Tsujimoto 
419 July 2007 MS-TOFVAR5Reference Substance
522 February 2005 MS-TOFM[STR] 
8 spectrum(a)
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Spectrum Details

analyteValine (1TMS)
analyte InChIInChI=1S/C8H19NO2Si/c1-6(2)7(9)8(10)11-12(3,4)5/h6-7H,9H2,1-5H3/t7-/m0/s1
analyte mass189.33
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)679.68
retention index (VAR5 method, n-alkanes C10–C36)1,081.4 (predicted, according to Strehmel, N. et.al)
base peak (m/z)72
maximal intensity999
mass-intensity-peaks cardinality53 intensities
minimal m/z39
maximal m/z175
download JCAMP DXSpectrumJcampDx.ashx?id=44d78849-518f-4d7d-9dd1-84c31ddc93eb
download MSPSpectrumMsp.ashx?id=44d78849-518f-4d7d-9dd1-84c31ddc93eb

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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