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Phytol (1TMS) MP

 

Replica Mass Spectra of Phytol (1TMS) MP

replicalib entry datedetectionmethodspecies
101 May 2003 MS-QuadM[2]Spathodea campanulata P. Beauv.
212 May 2005  M[NIST] 
830 March 2011  Fiehn_GC_2010 
312 May 2005  M[NIST] 
1028 August 2012  MassBank GC 2010 Kusano 
1105 June 2013  MRI_2013 
930 March 2011  Fiehn_GC_2010 
519 July 2007 MS-TOFVAR5Reference Substance
601 February 2005 MS-TOFM[6]Reference Substance
719 July 2007 MS-TOFMDN35Reference Substance
10 spectrum(a)
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Spectrum Details

analytePhytol (1TMS) MP
analyte InChIInChI=1S/C23H48OSi/c1-20(2)12-9-13-21(3)14-10-15-22(4)16-11-17-23(5)18-19-24-25(6,7)8/h18,20-22H,9-17,19H2,1-8H3/b23-18+/t21-,22-/m1/s1
analyte mass368.71
chromatogram4173GX32
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)1,323.38
retention index (VAR5 method, n-alkanes C10–C36)2,170.57 (predicted, according to Strehmel, N. et.al)
base peak (m/z)143
maximal intensity999
mass-intensity-peaks cardinality107 intensities
minimal m/z70
maximal m/z354
download JCAMP DXSpectrumJcampDx.ashx?id=60e81aa6-5407-4217-971a-777eb2171ac9
download MSPSpectrumMsp.ashx?id=60e81aa6-5407-4217-971a-777eb2171ac9

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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