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Mannose (1MEOX) (5TMS) BP

 

Replica Mass Spectra of Mannose (1MEOX) (5TMS) BP

replicalib entry datedetectionmethodspecies
1428 August 2012  MassBank GC 2010 Kusano 
122 February 2005 MS-TOFM[STR] 
201 June 2001 MS-TOFM[EIGTMS]Standard
322 February 2005 MS-TOFM[STR] 
1103 November 2010  Schomburg_GC_2010 
401 February 2005 MS-TOFM[6]Reference Substance
1705 June 2013  MRI_2013 
519 July 2007 MS-TOFVAR5Reference Substance
625 January 2005 MS-TOFM[MOR] 
1628 August 2012  MassBank GC 2010 Ara 
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Spectrum Details

analyteMannose (1MEOX) (5TMS) BP
analyte InChIInChI=1S/C22H55NO6Si5/c1-24-23-17-19(26-31(5,6)7)21(28-33(11,12)13)22(29-34(14,15)16)20(27-32(8,9)10)18-25-30(2,3)4/h17,19-22H,18H2,1-16H3/b23-17-
analyte mass570.1
chromatogram10340gf_13
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 date10 December 2010
metabolite role 
retention time (sec)1,122.28
retention index (VAR5 method, n-alkanes C10–C36)1,887.29 (observed)
base peak (m/z)73
maximal intensity160,974
mass-intensity-peaks cardinality181 intensities
minimal m/z70
maximal m/z557
download JCAMP DXSpectrumJcampDx.ashx?id=f82985ed-e139-44df-b11a-8a7d4794598b
download MSPSpectrumMsp.ashx?id=f82985ed-e139-44df-b11a-8a7d4794598b

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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