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Spermidine (4TMS)

 

Replica Mass Spectra of Spermidine (4TMS)

replicalib entry datedetectionmethodspecies
125 January 2005 MS-TOFM[MOR] 
226 November 2004  M[FAME4090]Standard
311 September 2005  M[FAME4090]Standard
415 March 2005 MS-TOFM[6]Reference Substance
1014 April 2010 MS-TOFVAR5Reference Substance
1230 March 2011  Fiehn_GC_2010 
615 March 2005 MS-TOFM[6]Reference Substance
801 April 2002 MS-QuadM[2]Reference Substance
901 November 2001 MS-TOFM[EIGTMS]Reference Substance
9 spectrum(a)
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Spectrum Details

analyteSpermidine (4TMS)
analyte InChI
analyte mass433.97
chromatogram4253GX69
citation 
authorsLiebig F, Erban A, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date15 March 2005
metabolite roleMETB
retention time (sec)1,368.94
retention index (VAR5 method, n-alkanes C10–C36)2,197.01 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality118 intensities
minimal m/z70
maximal m/z420
download JCAMP DXSpectrumJcampDx.ashx?id=dc8b4907-bcaa-4cef-9f9b-a3fbd7b6474c
download MSPSpectrumMsp.ashx?id=dc8b4907-bcaa-4cef-9f9b-a3fbd7b6474c

GC-Method

nameM[6]
citationErban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA
attributetextdetails
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:1_SMOOTHING:3_WIDTH:6_SN:>2
derivatizationMEOX; TMSMethoxyamination:90min40°C; Trimethylsilylation:45min40°C
detectorMS-TOFMZ:70-600; SCANS:20/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, USA
extractionmethanol:water (4:1; v/v); 15min70°C 
ion sourceEI70eV
metabolic inactivationcut; liquid nitrogen; -80°C 
partitioningmethanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning 
RIALKANEC12, C15, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #525560 (Restek, Bad Homburg, Germany); PROGRAM:iso1min70°C, ramp9°C/min, iso5min350°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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