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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 
415 March 2005 MS-TOFM[6]Reference Substance
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
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
chromatogram6087hf_35
citation 
authorsBoelling C, Liebig F, Erban A, Kopka 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 date19 July 2007
metabolite roleMETB
retention time (sec)714.49
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)143
maximal intensity1,537,265
mass-intensity-peaks cardinality328 intensities
minimal m/z45
maximal m/z1,000
download JCAMP DXSpectrumJcampDx.ashx?id=b765b853-b80c-4ffe-8354-fa6c5ad54419
download MSPSpectrumMsp.ashx?id=b765b853-b80c-4ffe-8354-fa6c5ad54419

GC-Method

nameMDN35
citationKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
attributetextdetails
deconvolutionChromaTOFBASELINE OFFSET: 1; SMOOTHING: 5; PEAK WIDTH: 3s; S/N: 10
derivatizationMEOX; MSTFAMETHOXYAMINATION: 120min at 37°C; TRIMETHYLSILYLATION: 30min at 37°C
detectorMS-TOFm/z = 70-600; scans:20/s;
extractionchloroform:dH2O (2:1; v/v); chloroform (20°C); dH2O (4°C)
ion sourceEI70eV
RIFAME, d6-CholesteroleFAME: C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28, C30
separationGCCOLUMN:35%phenyl-65%dimethylpolysiloxane, 30m, ID:0.32mm, DF:0.25µm, MDN-35 (Macherey-Nagel, Düren, Germany); PROGRAM:iso 2min 80°C, ramp 15°C/min, iso 6min 330°C; FLOW:Helium, 2mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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