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Valine (1TMS)

 

Replica Mass Spectra of Valine (1TMS)

replicalib entry datedetectionmethodspecies
122 February 2005 MS-TOFM[STR] 
603 November 2010  Schomburg_GC_2010 
212 May 2005  M[NIST] 
322 February 2005 MS-TOFM[STR] 
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
chromatogram10300xx_41
citationNA
authorsKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date05 June 2013
metabolite role 
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1,077.17 (predicted, according to Strehmel, N. et.al)
base peak (m/z)72
maximal intensity186,983
mass-intensity-peaks cardinality255 intensities
minimal m/z60
maximal m/z549
download JCAMP DXSpectrumJcampDx.ashx?id=c5dd47e7-96b1-4dd1-b079-4490774c199d
download MSPSpectrumMsp.ashx?id=c5dd47e7-96b1-4dd1-b079-4490774c199d

GC-Method

nameMRI_2013
citation 
no method details available

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