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Spermine (5TMS) MP


Replica Mass Spectra of Spermine (5TMS) MP

replicalib entry datedetectionmethodspecies
119 July 2007 MS-TOFMDN35Reference Substance
219 July 2007 MS-TOFVAR5Reference Substance
419 July 2007 MS-TOFMDN35Reference Substance
501 April 2002 MS-QuadM[2]Standard
619 January 2005 MS-QUADM[ROE] 
715 March 2005 MS-TOFM[6]Reference Substance
1428 August 2012  MassBank GC 2010 Kusano 
826 November 2004  M[FAME4090]Standard
915 March 2005 MS-TOFM[6]Reference Substance
1019 July 2007 MS-TOFVAR5Reference Substance
13 spectrum(a)
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Spectrum Details

analyteSpermine (5TMS) MP
analyte InChI
analyte mass563.25
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)1,640.73
retention index (VAR5 method, n-alkanes C10–C36)2.719,92 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality112 intensities
minimal m/z70
maximal m/z548
download JCAMP DXSpectrumJcampDx.ashx?id=38421cc5-5b8a-42f6-b60f-465b7357e70d
download MSPSpectrumMsp.ashx?id=38421cc5-5b8a-42f6-b60f-465b7357e70d


citationErban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA
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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