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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 
222 February 2005 MS-TOFM[STR] 
928 August 2012  MassBank GC 2010 Tsujimoto 
425 January 2005 MS-TOFM[MOR] 
512 May 2005  M[NIST] 
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
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) 
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)217
maximal intensity1.000
mass-intensity-peaks cardinality213 intensities
minimal m/z45
maximal m/z468
download JCAMP DXSpectrumJcampDx.ashx?id=0fc8136d-e22a-46b6-b802-d91f588dc9e6
download MSPSpectrumMsp.ashx?id=0fc8136d-e22a-46b6-b802-d91f588dc9e6

GC-Method

nameSchomburg_GC_2010
citation 
no method details available

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