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Ornithine, N2-acetyl- (4TMS)

 

Replica Mass Spectra of Ornithine, N2-acetyl- (4TMS)

replicalib entry datedetectionmethodspecies
219 July 2007 MS-TOFVAR5Reference Substance
326 November 2004  M[FAME4090]Standard
528 August 2012  MassBank GC 2010 Tsujimoto 
430 March 2011  Fiehn_GC_2010 
4 spectrum(a)
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Spectrum Details

analyteOrnithine, N2-acetyl- (4TMS)
analyte InChIInChI=1S/C19H46N2O3Si4/c1-17(22)21(27(8,9)10)18(19(23)24-28(11,12)13)15-14-16-20(25(2,3)4)26(5,6)7/h18H,14-16H2,1-13H3/t18-/m0/s1
analyte mass462.92
chromatogram6080hf_22
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)630.35
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity556.080
mass-intensity-peaks cardinality496 intensities
minimal m/z45
maximal m/z998
download JCAMP DXSpectrumJcampDx.ashx?id=0f7191b6-ea07-4b5d-908e-21aa4fde59a0
download MSPSpectrumMsp.ashx?id=0f7191b6-ea07-4b5d-908e-21aa4fde59a0

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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