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Docosane, n-


Replica Mass Spectra of Docosane, n-

replicalib entry datedetectionmethodspecies
1127 June 2008 MS-TOFVAR5na
312 May 2005  M[NIST] 
401 May 2003 MS-QuadM[2]Spathodea campanulata P. Beauv.
525 January 2005 MS-TOFM[MOR] 
622 February 2005 MS-TOFM[STR] 
1227 June 2008 MS-TOFVAR5na
701 September 2001 MS-QuadM[2]Standard Addition
1603 November 2010  Schomburg_GC_2010 
1327 June 2008 MS-TOFVAR5na
1503 February 2011 MS-TOFVAR5 
14 spectrum(a)
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Spectrum Details

analyteDocosane, n-
analyte InChIInChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
analyte mass310.6
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
authorsKopka 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 date01 May 2001
metabolite roleIS (RI05)
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)2.201,54 (predicted, according to Strehmel, N. et.al)
base peak (m/z)71
maximal intensity999
mass-intensity-peaks cardinality98 intensities
minimal m/z70
maximal m/z312
download JCAMP DXSpectrumJcampDx.ashx?id=55a2580f-c0f5-45f1-9145-0159f23d4405
download MSPSpectrumMsp.ashx?id=55a2580f-c0f5-45f1-9145-0159f23d4405


citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:non scanning; WIDTH: 20; SUBTRACTION: two; RESOLUTION: high; SENSITIVITY: medium; SHAPE: high
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>60min37°C
detectorMS-TOFMZ:70-600; SCANS:6/s; Pegasus II 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, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #NA (Restek, Bad Homburg, Germany); PROGRAM:iso2min80°C, ramp15°C/min, iso2min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C, 2min110psi; TRANSFER:250°C; IONSOURCE:200°C

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