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Ornithine (3TMS)

 

Replica Mass Spectra of Ornithine (3TMS)

replicalib entry datedetectionmethodspecies
803 November 2010  Schomburg_GC_2010 
301 October 2001 MS-TOFM[EIGTMS]Standard Addition
401 June 2001 MS-QuadM[2]Standard
905 June 2013  MRI_2013 
519 July 2007 MS-TOFVAR5Reference Substance
701 November 2001 MS-TOFM[EIGTMS]Corynebacterium glutamicum
6 spectrum(a)
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Spectrum Details

analyteOrnithine (3TMS)
analyte InChIInChI=1S/C14H36N2O2Si3/c1-19(2,3)16(20(4,5)6)12-10-11-13(15)14(17)18-21(7,8)9/h13H,10-12,15H2,1-9H3/t13-/m0/s1
analyte mass348.7
chromatogram4173GX55
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-METB
retention time (sec)1,071.54
retention index (VAR5 method, n-alkanes C10–C36)1.750,95 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality126 intensities
minimal m/z70
maximal m/z351
download JCAMP DXSpectrumJcampDx.ashx?id=e60ec0af-32ad-4f36-a024-3386311f03bd
download MSPSpectrumMsp.ashx?id=e60ec0af-32ad-4f36-a024-3386311f03bd

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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