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Ornithine (3TMS) (Derivate not found)


Replica Mass Spectra of Ornithine (3TMS) (Derivate not found)

replicalib entry datedetectionmethodspecies
122 February 2005 MS-TOFM[STR] 
212 May 2005  M[NIST] 
401 December 2003 MS-QuadM[2]Standard
622 February 2005 MS-TOFM[STR] 
1011 September 2005  M[FAME4090]Standard
1101 August 2001 MS-QuadM[2]Standard
1201 October 2001 MS-TOFM[EIGTMS]Saccharomyces cerevisiae
1403 November 2010  Schomburg_GC_2010 
1530 March 2011  Fiehn_GC_2010 
9 spectrum(a)
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Spectrum Details

analyteOrnithine (3TMS) (Derivate not found)
analyte InChIInChI=1S/C14H36N2O2Si3/c1-19(2,3)15-12-10-11-13(16-20(4,5)6)14(17)18-21(7,8)9/h13,15-16H,10-12H2,1-9H3/t13-/m0/s1
analyte mass348.7
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)965.69
retention index (VAR5 method, n-alkanes C10–C36)1,612.27 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality130 intensities
minimal m/z70
maximal m/z350
download JCAMP DXSpectrumJcampDx.ashx?id=20448eb9-894b-451c-87c8-0342bec835cf
download MSPSpectrumMsp.ashx?id=20448eb9-894b-451c-87c8-0342bec835cf


citationErban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA
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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