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Xylose (1MEOX) (4TMS) MP

 

Replica Mass Spectra of Xylose (1MEOX) (4TMS) MP

replicalib entry datedetectionmethodspecies
101 May 2001 MS-TOFM[EIGTMS]Nicotiana tabacum
212 October 2005 MS-TRAPM[BAR] 
301 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
411 September 2005  M[FAME4090]Standard
1803 November 2010  Schomburg_GC_2010 
2205 June 2013  MRI_2013 
2128 August 2012  MassBank GC 2010 Tsujimoto 
501 October 2001 MS-TOFM[EIGTMS]Standard
601 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
701 July 2001 MS-QuadM[2]Standard
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Spectrum Details

analyteXylose (1MEOX) (4TMS) MP
analyte InChIInChI=1S/C18H45NO5Si4/c1-20-19-14-16(22-26(5,6)7)18(24-28(11,12)13)17(23-27(8,9)10)15-21-25(2,3)4/h14,16-18H,15H2,1-13H3/b19-14+/t16-,17+,18+/m0/s1
analyte mass467.9
chromatogram12200gf_19
citationNA
authorsKopka 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 date23 July 2012
metabolite role 
retention time (sec)914.46
retention index (VAR5 method, n-alkanes C10–C36)1,645.39 (observed)
base peak (m/z)103
maximal intensity1,305,565
mass-intensity-peaks cardinality294 intensities
minimal m/z72
maximal m/z470
download JCAMP DXSpectrumJcampDx.ashx?id=084f2692-58cd-436c-80fc-7772173f475e
download MSPSpectrumMsp.ashx?id=084f2692-58cd-436c-80fc-7772173f475e

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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