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Putrescine (4TMS)


Replica Mass Spectra of Putrescine (4TMS)

replicalib entry datedetectionmethodspecies
2730 March 2011  Fiehn_GC_2010 
211 September 2005  M[FAME4090]Standard
301 February 2005 MS-TOFM[6]Reference Substance
401 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
511 September 2005  M[FAME4090]Standard
626 November 2004  M[FAME4090]Standard
701 February 2005 MS-TOFM[6]Reference Substance
819 January 2005 MS-QUADM[ROE] 
926 November 2004  M[FAME4090]Standard
2828 August 2012  MassBank GC 2010 Kusano 
27 spectrum(a)
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Spectrum Details

analytePutrescine (4TMS)
analyte InChIInChI=1S/C16H44N2Si4/c1-19(2,3)17(20(4,5)6)15-13-14-16-18(21(7,8)9)22(10,11)12/h13-16H2,1-12H3
analyte mass376.88
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-METB
retention time (sec)996.94
retention index (VAR5 method, n-alkanes C10–C36)1.736,7 (observed)
base peak (m/z)73
maximal intensity853.301
mass-intensity-peaks cardinality453 intensities
minimal m/z45
maximal m/z985
download JCAMP DXSpectrumJcampDx.ashx?id=e246ec8f-746c-4f65-bc54-5e28e2fb1813
download MSPSpectrumMsp.ashx?id=e246ec8f-746c-4f65-bc54-5e28e2fb1813


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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