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Shikimic acid (4TMS)

 

Replica Mass Spectra of Shikimic acid (4TMS)

replicalib entry datedetectionmethodspecies
2128 August 2012  MassBank GC 2010 Kusano 
115 March 2005 MS-TOFM[6]Reference Substance
211 September 2005  M[FAME4090]Standard
301 September 2001 MS-QuadM[2]Standard Addition
401 October 2001 MS-TOFM[EIGTMS]Standard
612 June 2003 MS-QuadM[2]Arabidopsis thaliana
719 July 2007 MS-TOFVAR5Reference Substance
825 January 2005 MS-TOFM[MOR] 
2405 June 2013  MRI_2013 
2328 August 2012  MassBank GC 2010 Ara 
23 spectrum(a)
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Spectrum Details

analyteShikimic acid (4TMS)
analyte InChIInChI=1S/C19H42O5Si4/c1-25(2,3)21-16-13-15(19(20)24-28(10,11)12)14-17(22-26(4,5)6)18(16)23-27(7,8)9/h13,16-18H,14H2,1-12H3/t16-,17-,18-/m1/s1
analyte mass462.88
chromatogram4089ED15
citationBoelling C, Fiehn O (2005) Plant Physiol 139, 1995-2005
authorsBoelling C, Willmitzer L, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date26 November 2004
metabolite roleMETB
retention time (sec)573.94
retention index (VAR5 method, n-alkanes C10–C36)1,793.82 (predicted, according to Strehmel, N. et.al)
base peak (m/z)204
maximal intensity999
mass-intensity-peaks cardinality213 intensities
minimal m/z85
maximal m/z464
download JCAMP DXSpectrumJcampDx.ashx?id=9431cdd7-5392-4184-97de-2be3e8ef67e4
download MSPSpectrumMsp.ashx?id=9431cdd7-5392-4184-97de-2be3e8ef67e4

GC-Method

nameM[FAME4090]
citation 
attributetextdetails
ion sourceEI 

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