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Glucose, 2-deoxy- (1MEOX) (4TMS) MP


Replica Mass Spectra of Glucose, 2-deoxy- (1MEOX) (4TMS) MP

replicalib entry datedetectionmethodspecies
1305 June 2013  MRI_2013 
119 July 2007 MS-TOFMDN35Reference Substance
1103 November 2010  Schomburg_GC_2010 
219 July 2007 MS-TOFVAR5Reference Substance
808 December 2010 MS-TOFVAR5 
1228 August 2012  MassBank GC 2010 Tsujimoto 
322 January 2005 MS-QUADM[ROE] 
1008 December 2010 MS-TOFVAR5 
426 November 2004  M[FAME4090]Standard
522 February 2005 MS-TOFM[STR] 
12 spectrum(a)
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Spectrum Details

analyteGlucose, 2-deoxy- (1MEOX) (4TMS) MP
analyte InChIInChI=1S/C19H47NO5Si4/c1-21-20-15-14-17(23-27(5,6)7)19(25-29(11,12)13)18(24-28(8,9)10)16-22-26(2,3)4/h15,17-19H,14,16H2,1-13H3/b20-15+/t17-,18-,19+/m1/s1
analyte mass481.92
citationSanchez et al_2010_PCE
authorsErban 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 date08 December 2010
metabolite role 
retention time (sec)1,021.34
retention index (VAR5 method, n-alkanes C10–C36)1.776,66 (observed)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality182 intensities
minimal m/z70
maximal m/z378
download JCAMP DXSpectrumJcampDx.ashx?id=819c025a-e034-47bd-9405-78381aec4117
download MSPSpectrumMsp.ashx?id=819c025a-e034-47bd-9405-78381aec4117


citationKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
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
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
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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