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Gluconic acid-1,4-lactone (4TMS)

 

Replica Mass Spectra of Gluconic acid-1,4-lactone (4TMS)

replicalib entry datedetectionmethodspecies
122 February 2005 MS-TOFM[STR] 
730 March 2011  Fiehn_GC_2010 
1105 June 2013  MRI_2013 
928 August 2012  MassBank GC 2010 Tsujimoto 
425 January 2005 MS-TOFM[MOR] 
512 May 2005  M[NIST] 
603 November 2010  Schomburg_GC_2010 
830 March 2011  Fiehn_GC_2010 
1028 August 2012  MassBank GC 2010 Tsujimoto 
9 spectrum(a)
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Spectrum Details

analyteGluconic acid-1,4-lactone (4TMS)
analyte InChIInChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14(22-26(4,5)6)15-16(23-27(7,8)9)17(18(19)21-15)24-28(10,11)12/h14-17H,13H2,1-12H3/t14-,15-,16+,17-/m1/s1
analyte mass466.86
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) 
retention index (VAR5 method, n-alkanes C10–C36)1.884,94 (predicted, according to Strehmel, N. et.al)
base peak (m/z)217
maximal intensity999
mass-intensity-peaks cardinality213 intensities
minimal m/z45
maximal m/z468
download JCAMP DXSpectrumJcampDx.ashx?id=fd44caaf-0aea-4e20-8ed0-97caf54813b7
download MSPSpectrumMsp.ashx?id=fd44caaf-0aea-4e20-8ed0-97caf54813b7

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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