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Octacosane, n-

 

Replica Mass Spectra of Octacosane, n-

replicalib entry datedetectionmethodspecies
101 September 2001 MS-QuadM[2]Standard Addition
222 February 2005 MS-TOFM[STR] 
1127 June 2008 MS-TOFVAR5na
1227 June 2008 MS-TOFVAR5na
1023 June 2008 MS-TOFVAR5na
1603 November 2010  Schomburg_GC_2010 
301 May 2003 MS-QuadM[2]Spathodea campanulata P. Beauv.
401 November 2001 MS-TOFM[EIGTMS]Standard Addition
1503 February 2011 MS-TOFVAR5 
1327 June 2008 MS-TOFVAR5na
14 spectrum(a)
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Spectrum Details

analyteOctacosane, n-
analyte InChIInChI=1S/C28H58/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3
analyte mass394.76
chromatogram1129EC05
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 April 2001
metabolite roleIS (RI05)
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)2.803,93 (predicted, according to Strehmel, N. et.al)
base peak (m/z)71
maximal intensity999
mass-intensity-peaks cardinality113 intensities
minimal m/z70
maximal m/z396
download JCAMP DXSpectrumJcampDx.ashx?id=3e25a2cb-66df-4b43-bbd8-cedc74e7fd48
download MSPSpectrumMsp.ashx?id=3e25a2cb-66df-4b43-bbd8-cedc74e7fd48

GC-Method

nameM[EIGTMS]
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
attributetextdetails
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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