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Phosphoenolpyruvic acid (3TMS)

 

Replica Mass Spectra of Phosphoenolpyruvic acid (3TMS)

replicalib entry datedetectionmethodspecies
905 June 2013  MRI_2013 
222 February 2005 MS-TOFM[STR] 
828 August 2012  MassBank GC 2010 Tsujimoto 
319 July 2007 MS-TOFMDN35Reference Substance
603 November 2010  Schomburg_GC_2010 
730 March 2011  Fiehn_GC_2010 
419 July 2007 MS-TOFVAR5Reference Substance
7 spectrum(a)
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Spectrum Details

analytePhosphoenolpyruvic acid (3TMS)
analyte InChIInChI=1S/C12H29O6PSi3/c1-11(12(13)16-20(2,3)4)15-19(14,17-21(5,6)7)18-22(8,9)10/h1H2,2-10H3
analyte mass384.59
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)1,315.44
retention index (VAR5 method, n-alkanes C10–C36)1.591,4 (predicted, according to Strehmel, N. et.al)
base peak (m/z)211
maximal intensity999
mass-intensity-peaks cardinality255 intensities
minimal m/z45
maximal m/z532
download JCAMP DXSpectrumJcampDx.ashx?id=2337a334-bb0e-454b-a24a-2bb019335456
download MSPSpectrumMsp.ashx?id=2337a334-bb0e-454b-a24a-2bb019335456

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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