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Eicosanoic acid (1TMS)

 

Replica Mass Spectra of Eicosanoic acid (1TMS)

replicalib entry datedetectionmethodspecies
1528 August 2012  MassBank GC 2010 Tsujimoto 
101 May 2001 MS-TOFM[EIGTMS]Standard
207 September 2004 MS-TOFM[6]Standard Addition
301 January 2003 MS-QuadM[2]Standard
425 January 2005 MS-TOFM[MOR] 
1430 March 2011  Fiehn_GC_2010 
507 September 2004 MS-QuadM[2] 
601 May 2001 MS-TOFM[EIGTMS]Standard Addition
701 May 2001 MS-TOFM[EIGTMS]Standard
901 May 2003 MS-QuadM[2]Spathodea campanulata P. Beauv.
14 spectrum(a)
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Spectrum Details

analyteEicosanoic acid (1TMS)
analyte InChIInChI=1S/C23H48O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-26(2,3)4/h5-22H2,1-4H3
analyte mass384.71
chromatogram6075hf_11
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)817.13
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)75
maximal intensity574.098
mass-intensity-peaks cardinality703 intensities
minimal m/z45
maximal m/z1.000
download JCAMP DXSpectrumJcampDx.ashx?id=ab6314e7-3962-411f-aa47-b631f9bc86ad
download MSPSpectrumMsp.ashx?id=ab6314e7-3962-411f-aa47-b631f9bc86ad

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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