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Sorbose (1MEOX) (5TMS) MP

 

Replica Mass Spectra of Sorbose (1MEOX) (5TMS) MP

replicalib entry datedetectionmethodspecies
928 August 2012  MassBank GC 2010 Tsujimoto 
126 November 2004  M[FAME4090]Standard
830 March 2011  Fiehn_GC_2010 
301 January 2003 MS-QuadM[2]Standard
425 January 2005 MS-TOFM[MOR] 
519 July 2007 MS-TOFVAR5Reference Substance
1028 August 2012  MassBank GC 2010 Tsujimoto 
619 July 2007 MS-TOFMDN35Reference Substance
701 May 2001 MS-TOFM[EIGTMS]Standard
9 spectrum(a)
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Spectrum Details

analyteSorbose (1MEOX) (5TMS) MP
analyte InChIInChI=1S/C22H55NO6Si5/c1-24-23-19(17-25-30(2,3)4)21(28-33(11,12)13)22(29-34(14,15)16)20(27-32(8,9)10)18-26-31(5,6)7/h20-22H,17-18H2,1-16H3/b23-19+/t20-,21+,22+/m0/s1
analyte mass570.1
chromatogramNA(_49)
citation 
authorsRoessner-Tunali U, Forbes MG, University of Melbourne, School of Botany, 3010 Victoria, Australia
lib entry date22 January 2005
metabolite roleMETB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1.858,85 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality202 intensities
minimal m/z70
maximal m/z569
download JCAMP DXSpectrumJcampDx.ashx?id=1dbd9fd8-bbd6-40e8-8d7c-59c8f66d5892
download MSPSpectrumMsp.ashx?id=1dbd9fd8-bbd6-40e8-8d7c-59c8f66d5892

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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