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Ornithine (4TMS)

 

Replica Mass Spectra of Ornithine (4TMS)

replicalib entry datedetectionmethodspecies
2228 August 2012  MassBank GC 2010 Kusano 
201 June 2001 MS-QuadM[2]Standard
2428 August 2012  MassBank GC 2010 Ara 
311 September 2005  M[FAME4090]Standard
2130 March 2011  Fiehn_GC_2010 
411 September 2005  M[FAME4090]Standard
501 June 2001 MS-TOFM[EIGTMS]Standard
611 September 2005  M[FAME4090]Standard
801 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
2003 November 2010  Schomburg_GC_2010 
22 spectrum(a)
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Spectrum Details

analyteOrnithine (4TMS)
analyte InChIInChI=1S/C17H44N2O2Si4/c1-22(2,3)18-16(17(20)21-25(10,11)12)14-13-15-19(23(4,5)6)24(7,8)9/h16,18H,13-15H2,1-12H3/t16-/m0/s1
analyte mass420.89
chromatogramNA(_49)
citation 
authorsRoessner-Tunali U, Forbes MG, University of Melbourne, School of Botany, 3010 Victoria, Australia
lib entry date22 January 2005
metabolite roleMETB-METB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1,810.45 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality172 intensities
minimal m/z70
maximal m/z424
download JCAMP DXSpectrumJcampDx.ashx?id=373f1537-fd7e-46c7-a05d-5c5a196138e8
download MSPSpectrumMsp.ashx?id=373f1537-fd7e-46c7-a05d-5c5a196138e8

GC-Method

nameM[ROE]
citationU. Roessner, J. Patterson, M. Forbes, G. Fincher, P. Langridge, A. Bacic, Plant Physiology 142 (2006) 1087
attributetextdetails
deconvolutionXcalibur program 
derivatizationMEOX; MSTFAMETHOXYAMINATION: 120min at 37°C; SILYLATION: 30min at 37°C
detectorMS-QUADm/z = 70-600; scans:2/s; DSQ quadrupole mass spectrometer
extractionmethanol:chloroform 
ion sourceEI70eV
RIALKANEC12, C15, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane, 30+10m, ID:0.25mm, DF:0.25µm, VF-5MS (Varian, Darmstadt, Germany); PROGRAM:injection at 70°C, ramp 1°C/min to 76°C, ramp 6°C/min to 330°C, iso at 330°C for 10min; FLOW:Helium, 1mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:280°C; IONSOURCE:250°C

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