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Coniferylaldehyde, trans- (1MEOX) (1TMS) MP


Replica Mass Spectra of Coniferylaldehyde, trans- (1MEOX) (1TMS) MP

replicalib entry datedetectionmethodspecies
101 March 2002 MS-QuadM[2]Standard
225 January 2005 MS-TOFM[MOR] 
319 July 2007 MS-TOFVAR5Reference Substance
828 August 2012  MassBank GC 2010 Tsujimoto 
519 July 2007 MS-TOFMDN35Reference Substance
627 October 2003 MS-QuadM[2]Reference Substance
730 March 2011  Fiehn_GC_2010 
7 spectrum(a)
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Spectrum Details

analyteConiferylaldehyde, trans- (1MEOX) (1TMS) MP
analyte InChIInChI=1S/C14H21NO3Si/c1-16-14-11-12(7-6-10-15-17-2)8-9-13(14)18-19(3,4)5/h6-11H,1-5H3/b7-6+,15-10+
analyte mass279.41
authorsLiebig F, Erban A, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date15 March 2005
metabolite roleMETB
retention time (sec)1,226.85
retention index (VAR5 method, n-alkanes C10–C36)1.948,07 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality148 intensities
minimal m/z70
maximal m/z282
download JCAMP DXSpectrumJcampDx.ashx?id=a750136c-9621-4fc0-9551-82c6333fc726
download MSPSpectrumMsp.ashx?id=a750136c-9621-4fc0-9551-82c6333fc726


citationErban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:1_SMOOTHING:3_WIDTH:6_SN:>2
derivatizationMEOX; TMSMethoxyamination:90min40°C; Trimethylsilylation:45min40°C
detectorMS-TOFMZ:70-600; SCANS:20/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, USA
extractionmethanol:water (4:1; v/v); 15min70°C 
ion sourceEI70eV
metabolic inactivationcut; liquid nitrogen; -80°C 
partitioningmethanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning 
RIALKANEC12, C15, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #525560 (Restek, Bad Homburg, Germany); PROGRAM:iso1min70°C, ramp9°C/min, iso5min350°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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