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Pyroglutamic acid (1TMS)

 

Replica Mass Spectra of Pyroglutamic acid (1TMS)

replicalib entry datedetectionmethodspecies
119 July 2007 MS-TOFVAR5Reference Substance
603 November 2010  Schomburg_GC_2010 
2 spectrum(a)
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Spectrum Details

analytePyroglutamic acid (1TMS)
analyte InChIInChI=1S/C8H15NO3Si/c1-13(2,3)12-8(11)6-4-5-7(10)9-6/h6H,4-5H2,1-3H3,(H,9,10)
analyte mass201.3
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 roleMST
retention time (sec)1,251.54
retention index (VAR5 method, n-alkanes C10–C36)1.505,94 (predicted, according to Strehmel, N. et.al)
base peak (m/z)84
maximal intensity999
mass-intensity-peaks cardinality76 intensities
minimal m/z39
maximal m/z308
download JCAMP DXSpectrumJcampDx.ashx?id=bd2b35a8-5f61-40c8-9d76-f0980e8d5dcc
download MSPSpectrumMsp.ashx?id=bd2b35a8-5f61-40c8-9d76-f0980e8d5dcc

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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