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Glutamine, DL- (3TMS)

 

Replica Mass Spectra of Glutamine, DL- (3TMS)

replicalib entry datedetectionmethodspecies
122 February 2005 MS-TOFM[STR] 
1603 November 2010  Schomburg_GC_2010 
1730 March 2011  Fiehn_GC_2010 
212 June 2003 MS-QuadM[2]Reference Substance
314 November 2003 MS-QuadM[2]Arabidopsis thaliana
414 November 2003 MS-QuadM[2]Arabidopsis thaliana
1828 August 2012  MassBank GC 2010 Kusano 
501 May 2001 MS-QuadM[2]Standard
601 May 2001 MS-TOFM[EIGTMS]Standard Addition
2105 June 2013  MRI_2013 
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Spectrum Details

analyteGlutamine, DL- (3TMS)
analyte InChIInChI=1S/C14H34N2O3Si3/c1-20(2,3)15-12(14(18)19-22(7,8)9)10-11-13(17)16-21(4,5)6/h12,15H,10-11H2,1-9H3,(H,16,17)/t12-/m0/s1
analyte mass362.69
chromatogram6033ix_32
citation 
authorsStrehmel N, Kopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date27 June 2008
metabolite role 
retention time (sec)1,017.04
retention index (VAR5 method, n-alkanes C10–C36)1,766.72 (observed)
base peak (m/z)73
maximal intensity9,490
mass-intensity-peaks cardinality861 intensities
minimal m/z45
maximal m/z1,000
download JCAMP DXSpectrumJcampDx.ashx?id=c72d494f-87ce-443d-8745-099d3955871e
download MSPSpectrumMsp.ashx?id=c72d494f-87ce-443d-8745-099d3955871e

GC-Method

nameVAR5
citationKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
attributetextdetails
deconvolutionChromaTOFOFFSET: "just above noise"; SMOOTHING: 20; PEAK WIDTH: 6; S/N: 2
derivatizationMEOX; TMSMETHOXYAMINATION: 90min at 30°C; TRIMETHYLSILYLATION: 30min at 37°C
detectorMS-TOFm/z = 70-600; scans:20/s; Pegasus III TOF mass spectrometer
extractionwater:chloroform (2:1; v/v) 15min at 70°C
gas chromatographAgilent GC 6890 
ion sourceEI70eV
mass spectrometry instrumentPegasus III TOF mass spectrometer 
metabolic inactivationshock-frozen in liquid nitrogen 
RIALKANEC10, C12, C15, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%phenyl-95%dimethylpolysiloxane, 30+10m, ID:0.25mm, DF:0.25µm, 5PDM VF-5ms (Varian, Darmstadt, Germany); PROGRAM:iso1min 70°C, ramp 9°C/min, iso 5min 350°C; FLOW:Helium, 0.6mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C
protocolpropertyvalue
extractionwater chloroform(2:1; v/v) 15min at 70°C
derivatizationderivatisationMETHOXYAMINATION, 90min at 30°C
derivatizationderivatisationTRIMETHYLSILYLATION, 30min at 37°C
separationIon source temperature250°C
separationColumn length30+10m (analytical column + guard column)
separationColumn inner diameter0.25mm
separationTemperature programisotherm 1min 70°C, ramp 9°C/min, isotherm 5min 350°C
ion sourceelectron ionization70eV
detectorLECO instrument modelPegasus III TOF mass spectrometer
detectorhighest observed m/zm/z = 600
detectorlowest observed m/zm/z = 70
detectorsampling frequency20 scans/s
detectormass analyzer typeMS-TOF
deconvolutionmoving average smoothing20
deconvolutionsoftwareChromaTOF
deconvolutionsignal-to-noise ratio2
RIRetention indexdecane
RIRetention indexdodecane
RIRetention indexpentadecane
RIRetention indexoctadecane
RIRetention indexnonadecane
RIRetention indexdocosane
RIRetention indexoctacosane
RIRetention indexdotriacontane
RIRetention indexhexatriacontane
ChromatographyChromatographyAgilent GC 6890

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