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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 
222 February 2005 MS-TOFM[STR] 
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
chromatogram10300xx_41
citationNA
authorsKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date05 June 2013
metabolite role 
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1,891.96 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity241,479
mass-intensity-peaks cardinality337 intensities
minimal m/z60
maximal m/z548
download JCAMP DXSpectrumJcampDx.ashx?id=74b1b6a6-4a18-4ff1-bcd5-6f99a585b4be
download MSPSpectrumMsp.ashx?id=74b1b6a6-4a18-4ff1-bcd5-6f99a585b4be

GC-Method

nameMRI_2013
citation 
no method details available

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