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Phosphoenolpyruvic acid (3TMS)

 

Replica Mass Spectra of Phosphoenolpyruvic acid (3TMS)

replicalib entry datedetectionmethodspecies
905 June 2013  MRI_2013 
122 February 2005 MS-TOFM[STR] 
222 February 2005 MS-TOFM[STR] 
828 August 2012  MassBank GC 2010 Tsujimoto 
319 July 2007 MS-TOFMDN35Reference Substance
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
chromatogram10300xx_01
citationNA
authorsJäger C, Schomburg D Department of Bioinformatics and Biochemistry, Technische Universität Carolo-Wilhelmina Braunschweig, Langer Kamp 19B, D-38106 Braunschweig, Germany
lib entry date03 November 2010
metabolite role 
retention time (sec)22.71
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)369
maximal intensity1.000
mass-intensity-peaks cardinality175 intensities
minimal m/z45
maximal m/z476
download JCAMP DXSpectrumJcampDx.ashx?id=90cd54f1-f558-4b12-88a9-abe0938ef861
download MSPSpectrumMsp.ashx?id=90cd54f1-f558-4b12-88a9-abe0938ef861

GC-Method

nameSchomburg_GC_2010
citation 
no method details available

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