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Catechin (5TMS)

 

Replica Mass Spectra of Catechin (5TMS)

replicalib entry datedetectionmethodspecies
112 May 2005  M[NIST] 
219 July 2007 MS-TOFVAR5Reference Substance
530 March 2011  Fiehn_GC_2010 
312 June 2003 MS-QuadM[2]Standard Addition
4 spectrum(a)
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Spectrum Details

analyteCatechin (5TMS)
analyte InChIInChI=1S/C30H54O6Si5/c1-37(2,3)32-23-19-26-24(27(20-23)34-39(7,8)9)21-29(36-41(13,14)15)30(31-26)22-16-17-25(33-38(4,5)6)28(18-22)35-40(10,11)12/h16-20,29-30H,21H2,1-15H3/t29-,30+/m0/s1
analyte mass651.17
chromatogram4090ED02
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)2,868.42 (predicted, according to Strehmel, N. et.al)
base peak (m/z)368
maximal intensity999
mass-intensity-peaks cardinality263 intensities
minimal m/z85
maximal m/z488
download JCAMP DXSpectrumJcampDx.ashx?id=1589af48-28de-45b8-b098-eb4285f82d00
download MSPSpectrumMsp.ashx?id=1589af48-28de-45b8-b098-eb4285f82d00

GC-Method

nameM[FAME4090]
citation 
attributetextdetails
ion sourceEI 

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