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Guanosine-2',3'-cyclic-monophosphate (4TMS)

 

Replica Mass Spectra of Guanosine-2',3'-cyclic-monophosphate (4TMS)

replicalib entry datedetectionmethodspecies
219 July 2007 MS-TOFMDN35Reference Substance
1 spectrum(a)
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Spectrum Details

analyteGuanosine-2',3'-cyclic-monophosphate (4TMS)
analyte InChIInChI=1S/C22H44N5O7PSi4/c1-36(2,3)25-22-24-19-16(20(28)27(22)37(4,5)6)23-14-26(19)21-18-17(15(31-21)13-30-38(7,8)9)32-35(29,33-18)34-39(10,11)12/h14-15,17-18,21H,13H2,1-12H3,(H,24,25)/t15?,17-,18-,21-,35?/m1/s1
analyte mass633.93
chromatogram6073if_41
citation 
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 role 
retention time (sec)1,790.24
retention index (VAR5 method, n-alkanes C10–C36)3.219,58 (observed)
base peak (m/z)73
maximal intensity114.457
mass-intensity-peaks cardinality475 intensities
minimal m/z45
maximal m/z960
download JCAMP DXSpectrumJcampDx.ashx?id=6b300df8-1725-4e10-acea-e4a97862f98f
download MSPSpectrumMsp.ashx?id=6b300df8-1725-4e10-acea-e4a97862f98f

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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