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Quinic acid (5TMS)

 

Replica Mass Spectra of Quinic acid (5TMS)

replicalib entry datedetectionmethodspecies
101 May 2001 MS-TOFM[EIGTMS]Standard Addition
2128 August 2012  MassBank GC 2010 Tsujimoto 
201 February 2005 MS-TOFM[6]Reference Substance
2030 March 2011  Fiehn_GC_2010 
2205 June 2013  MRI_2013 
1817 March 2010 MS-TOFVAR5Brassica oleracea
501 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
601 September 2001 MS-QuadM[2]Standard Addition
719 July 2007 MS-TOFVAR5Reference Substance
819 July 2007 MS-TOFVAR5Reference Substance
19 spectrum(a)
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Spectrum Details

analyteQuinic acid (5TMS)
analyte InChIInChI=1S/C22H52O6Si5/c1-29(2,3)24-18-16-22(28-33(13,14)15,21(23)27-32(10,11)12)17-19(25-30(4,5)6)20(18)26-31(7,8)9/h18-20H,16-17H2,1-15H3/t18-,19-,20-,22+/m1/s1
analyte mass553.07
chromatogram4091ED39
citation 
authorsFiehn O, 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) 
retention index (VAR5 method, n-alkanes C10–C36)1.844,56 (predicted, according to Strehmel, N. et.al)
base peak (m/z)147
maximal intensity999
mass-intensity-peaks cardinality267 intensities
minimal m/z85
maximal m/z464
download JCAMP DXSpectrumJcampDx.ashx?id=6681aeeb-6a9e-4f2a-8dde-3d6aad065ccb
download MSPSpectrumMsp.ashx?id=6681aeeb-6a9e-4f2a-8dde-3d6aad065ccb

GC-Method

nameM[FAME4090]
citation 
attributetextdetails
ion sourceEI 

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