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Cellobiose, D- (1MEOX) (8TMS) MP

 

Replica Mass Spectra of Cellobiose, D- (1MEOX) (8TMS) MP

replicalib entry datedetectionmethodspecies
730 March 2011  Fiehn_GC_2010 
805 June 2013  MRI_2013 
219 July 2007 MS-TOFVAR5Reference Substance
326 November 2004  M[FAME4090]Reference Substance
603 November 2010  Schomburg_GC_2010 
425 January 2005 MS-TOFM[MOR] 
512 October 2005 MS-TRAPM[BAR] 
7 spectrum(a)
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Spectrum Details

analyteCellobiose, D- (1MEOX) (8TMS) MP
analyte InChIInChI=1S/C37H89NO11Si8/c1-39-38-26-29(44-52(8,9)10)33(46-54(14,15)16)32(31(45-53(11,12)13)28-41-51(5,6)7)43-37-36(49-57(23,24)25)35(48-56(20,21)22)34(47-55(17,18)19)30(42-37)27-40-50(2,3)4/h26,29-37H,27-28H2,1-25H3/b38-26+
analyte mass948.79
chromatogramNA(_49)
citation 
authorsRoessner-Tunali U, Forbes MG, University of Melbourne, School of Botany, 3010 Victoria, Australia
lib entry date19 January 2005
metabolite roleMETB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)2.687,06 (predicted, according to Strehmel, N. et.al)
base peak (m/z)204
maximal intensity999
mass-intensity-peaks cardinality319 intensities
minimal m/z70
maximal m/z599
download JCAMP DXSpectrumJcampDx.ashx?id=0dde8c12-6fd2-4dc5-996b-5fbea072e7a3
download MSPSpectrumMsp.ashx?id=0dde8c12-6fd2-4dc5-996b-5fbea072e7a3

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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