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

 

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

replicalib entry datedetectionmethodspecies
127 October 2003 MS-QuadM[2]Reference Substance
219 July 2007 MS-TOFVAR5Reference Substance
319 July 2007 MS-TOFMDN35Reference Substance
630 March 2011  Fiehn_GC_2010 
401 March 2002 MS-QuadM[2]Standard
728 August 2012  MassBank GC 2010 Tsujimoto 
6 spectrum(a)
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Spectrum Details

analyteConiferylaldehyde, trans- (1MEOX) (1TMS) BP
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
chromatogramNA(_43)
citation 
authorsMoritz T, Umea Plant Science Centre, Department of Forest Genetics and Plant Physiology, Swedish University of Agricultural Sciences, SE-901 83 Umea, Sweden
lib entry date25 January 2005
metabolite roleMETB
retention time (sec)340.8
retention index (VAR5 method, n-alkanes C10–C36)1,951.19 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality171 intensities
minimal m/z50
maximal m/z282
download JCAMP DXSpectrumJcampDx.ashx?id=ffbb3716-500a-424a-8469-c91666cf192a
download MSPSpectrumMsp.ashx?id=ffbb3716-500a-424a-8469-c91666cf192a

GC-Method

nameM[MOR]
citationGullberg J, Jonsson P, Nordström A, Sjöström M, Moritz T (2004) Anal Biochem 331, 283-295
attributetextdetails
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:NA; SMOOTHING:NA; WIDTH:2; SN:>10
derivatizationMEOX; TMSMETHOXYAMINATION: 60min60°C, 960min20°C; SILYLATION:>60min40°C
detectorMS-TOFm/z:50-800; SCANS:30/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, USA
extractionmethanol:chloroform:water (3:1:1; v/v/v) 15min at 60°C 
ion sourceEI70eV
metabolic inactivationcut; liquid nitrogen; -80°C 
partitioningnone 
RIALKANEC12, C13, C14, C15, C16, C17, C18, C19, C20, C21, C22, C23, C24, C25
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane, 10m, ID:0.18mm, DF:0.18µm, DB-5-MS (J&W Scientific, Folsom, CA, USA); PROGRAM: iso 2min at 70°C, ramp 40°C/min, iso 1min at 320°C; FLOW:Helium, 1.0ml/min: INJECTION:1µL, splitless, 270°C; TRANSFER:250°C; IONSOURCE:200°C

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