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Adenine (2TMS)


Replica Mass Spectra of Adenine (2TMS)

replicalib entry datedetectionmethodspecies
2028 August 2012  MassBank GC 2010 Kusano 
226 November 2004  M[FAME4090]Standard
2305 June 2013  MRI_2013 
322 February 2005 MS-TOFM[STR] 
422 February 2005 MS-TOFM[STR] 
601 February 2005 MS-TOFM[6]Reference Substance
701 November 2001 MS-TOFM[EIGTMS]Standard
801 November 2001 MS-QuadM[2]Standard
901 February 2005 MS-TOFM[6]Reference Substance
1001 May 2001 MS-TOFM[EIGTMS]Saccharomyces cerevisiae
20 spectrum(a)
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Spectrum Details

analyteAdenine (2TMS)
analyte InChIInChI=1S/C11H21N5Si2/c1-17(2,3)15-11-9-10(12-7-13-11)14-8-16(9)18(4,5)6/h7-8H,1-6H3,(H,12,13,15)
analyte mass279.49
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 date01 February 2005
metabolite roleMETB
retention time (sec)1,187.68
retention index (VAR5 method, n-alkanes C10–C36)1,869.67 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality176 intensities
minimal m/z70
maximal m/z290
download JCAMP DXSpectrumJcampDx.ashx?id=f5f524c2-54ac-4b25-8054-078e6b30b366
download MSPSpectrumMsp.ashx?id=f5f524c2-54ac-4b25-8054-078e6b30b366


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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