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Guanosine (5TMS)


Replica Mass Spectra of Guanosine (5TMS)

replicalib entry datedetectionmethodspecies
201 February 2005 MS-TOFM[6]Reference Substance
301 February 2005 MS-TOFM[6]Reference Substance
401 November 2001 MS-TOFM[EIGTMS]Standard
1628 August 2012  MassBank GC 2010 Ara 
1330 March 2011  Fiehn_GC_2010 
1428 August 2012  MassBank GC 2010 Kusano 
612 May 2005  M[NIST] 
701 February 2005 MS-TOFM[6]Reference Substance
1528 August 2012  MassBank GC 2010 Tsujimoto 
819 July 2007 MS-TOFMDN35Reference Substance
14 spectrum(a)
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Spectrum Details

analyteGuanosine (5TMS)
analyte InChIInChI=1S/C25H53N5O5Si5/c1-36(2,3)28-25-27-22-19(23(31)30(25)37(4,5)6)26-17-29(22)24-21(35-40(13,14)15)20(34-39(10,11)12)18(33-24)16-32-38(7,8)9/h17-18,20-21,24H,16H2,1-15H3,(H,27,28)/t18-,20-,21-,24-/m1/s1
analyte mass644.15
authorsBoelling C, Liebig F, Erban A, 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 date19 July 2007
metabolite roleMETB
retention time (sec)1,598.24
retention index (VAR5 method, n-alkanes C10–C36)2.760,82 (observed)
base peak (m/z)73
maximal intensity1.075.505
mass-intensity-peaks cardinality822 intensities
minimal m/z45
maximal m/z1.000
download JCAMP DXSpectrumJcampDx.ashx?id=2c444366-9826-4cdd-bde0-6e73c3d33c9c
download MSPSpectrumMsp.ashx?id=2c444366-9826-4cdd-bde0-6e73c3d33c9c


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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