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Tetradecanoic acid methyl ester (FAME MIX)

 

Replica Mass Spectra of Tetradecanoic acid methyl ester (FAME MIX)

replicalib entry datedetectionmethodspecies
1930 March 2011  Fiehn_GC_2010 
122 February 2005 MS-TOFM[STR] 
1508 October 2009 MS-TOFVAR5Reference Substance
1408 October 2009 MS-TOFVAR5Reference Substance
522 February 2005 MS-TOFM[STR] 
1708 October 2009 MS-TOFVAR5Reference Substance
612 May 2005  M[NIST] 
1803 November 2010  Schomburg_GC_2010 
1608 October 2009 MS-TOFVAR5Reference Substance
822 February 2005 MS-TOFM[STR] 
12 spectrum(a)
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Spectrum Details

analyteTetradecanoic acid methyl ester (FAME MIX)
analyte InChIInChI=1S/C15H30O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-14H2,1-2H3
analyte mass242.4
chromatogramNA(_31)
citation 
authorsRoessner-Tunali U, Forbes MG, University of Melbourne, School of Botany, 3010 Victoria, Australia
lib entry date22 January 2005
metabolite roleMETB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1.728,11 (predicted, according to Strehmel, N. et.al)
base peak (m/z)74
maximal intensity999
mass-intensity-peaks cardinality80 intensities
minimal m/z70
maximal m/z243
download JCAMP DXSpectrumJcampDx.ashx?id=d7460273-a8fe-4341-b4d6-367a50c563c5
download MSPSpectrumMsp.ashx?id=d7460273-a8fe-4341-b4d6-367a50c563c5

GC-Method

nameM[ROE]
citationU. Roessner, J. Patterson, M. Forbes, G. Fincher, P. Langridge, A. Bacic, Plant Physiology 142 (2006) 1087
attributetextdetails
deconvolutionXcalibur program 
derivatizationMEOX; MSTFAMETHOXYAMINATION: 120min at 37°C; SILYLATION: 30min at 37°C
detectorMS-QUADm/z = 70-600; scans:2/s; DSQ quadrupole mass spectrometer
extractionmethanol:chloroform 
ion sourceEI70eV
RIALKANEC12, C15, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane, 30+10m, ID:0.25mm, DF:0.25µm, VF-5MS (Varian, Darmstadt, Germany); PROGRAM:injection at 70°C, ramp 1°C/min to 76°C, ramp 6°C/min to 330°C, iso at 330°C for 10min; FLOW:Helium, 1mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:280°C; IONSOURCE:250°C

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