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Gluconic acid-1,5-lactone (4TMS)

 

Replica Mass Spectra of Gluconic acid-1,5-lactone (4TMS)

replicalib entry datedetectionmethodspecies
125 January 2005 MS-TOFM[MOR] 
226 November 2004  M[FAME4090]Standard
1330 March 2011  Fiehn_GC_2010 
1428 August 2012  MassBank GC 2010 Tsujimoto 
1605 June 2013  MRI_2013 
1528 August 2012  MassBank GC 2010 Tsujimoto 
415 March 2005 MS-TOFM[6]Reference Substance
1203 November 2010  Schomburg_GC_2010 
519 July 2007 MS-TOFVAR5Reference Substance
601 November 2001 MS-TOFM[EIGTMS]Corynebacterium glutamicum
14 spectrum(a)
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Spectrum Details

analyteGluconic acid-1,5-lactone (4TMS)
analyte InChIInChI=1S/C18H42O6Si4/c1-25(2,3)20-13-14-15(22-26(4,5)6)16(23-27(7,8)9)17(18(19)21-14)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 roleMETB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1,873.87 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality184 intensities
minimal m/z45
maximal m/z467
download JCAMP DXSpectrumJcampDx.ashx?id=6aa28fc6-aa0d-4cdb-8026-2bc9ec42105f
download MSPSpectrumMsp.ashx?id=6aa28fc6-aa0d-4cdb-8026-2bc9ec42105f

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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