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

 

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

replicalib entry datedetectionmethodspecies
226 November 2004  M[FAME4090]Standard
430 March 2011  Fiehn_GC_2010 
2 spectrum(a)
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Spectrum Details

analyteGlucoheptonic acid-1,4-lactone (5TMS)
analyte InChIInChI=1S/C22H52O7Si5/c1-30(2,3)24-16-17(26-31(4,5)6)18(27-32(7,8)9)19-20(28-33(10,11)12)21(22(23)25-19)29-34(13,14)15/h17-21H,16H2,1-15H3/t17-,18+,19-,20-,21-/m1/s1
analyte mass569.07
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)2,116.79 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity486,701
mass-intensity-peaks cardinality378 intensities
minimal m/z60
maximal m/z550
download JCAMP DXSpectrumJcampDx.ashx?id=8f60f601-fec1-416e-95b3-ce7cc452aa2b
download MSPSpectrumMsp.ashx?id=8f60f601-fec1-416e-95b3-ce7cc452aa2b

GC-Method

nameMRI_2013
citation 
no method details available

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