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Threitol (4TMS)

 

Replica Mass Spectra of Threitol (4TMS)

replicalib entry datedetectionmethodspecies
112 May 2005  M[NIST] 
219 July 2007 MS-TOFMDN35Reference Substance
1128 August 2012  MassBank GC 2010 Tsujimoto 
319 July 2007 MS-TOFVAR5Reference Substance
1030 March 2011  Fiehn_GC_2010 
426 November 2004  M[FAME4090]Standard
501 January 2003 MS-QuadM[2]Standard
622 January 2005 MS-QUADM[ROE] 
701 May 2001 MS-TOFM[EIGTMS]Standard
801 September 2001 MS-QuadM[2]Standard Addition
11 spectrum(a)
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Spectrum Details

analyteThreitol (4TMS)
analyte InChIInChI=1S/C16H42O4Si4/c1-21(2,3)17-13-15(19-23(7,8)9)16(20-24(10,11)12)14-18-22(4,5)6/h15-16H,13-14H2,1-12H3
analyte mass410.84
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)1.505,95 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity2.454.145
mass-intensity-peaks cardinality301 intensities
minimal m/z60
maximal m/z550
download JCAMP DXSpectrumJcampDx.ashx?id=380da267-5a12-473e-b528-876d59a736d5
download MSPSpectrumMsp.ashx?id=380da267-5a12-473e-b528-876d59a736d5

GC-Method

nameMRI_2013
citation 
no method details available

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