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Kestose, 6- (11TMS)

 

Replica Mass Spectra of Kestose, 6- (11TMS)

replicalib entry datedetectionmethodspecies
101 August 2001 MS-QuadM[2]Standard
1 spectrum(a)
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Spectrum Details

analyteKestose, 6- (11TMS)
analyte InChIInChI=1S/C51H120O16Si11/c1-68(2,3)53-35-39-42(61-72(13,14)15)45(64-75(22,23)24)46(65-76(25,26)27)49(57-39)60-51(38-56-71(10,11)12)48(67-78(31,32)33)43(62-73(16,17)18)40(59-51)34-52-50(37-55-70(7,8)9)47(66-77(28,29)30)44(63-74(19,20)21)41(58-50)36-54-69(4,5)6/h39-49H,34-38H2,1-33H3/t39?,40?,41?,42-,43-,44-,45+,46-,47+,48+,49-,50-,51+/m1/s1
analyte mass1,298.43
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)3.381,36 (predicted, according to Strehmel, N. et.al)
base peak (m/z)361
maximal intensity999
mass-intensity-peaks cardinality263 intensities
minimal m/z71
maximal m/z559
download JCAMP DXSpectrumJcampDx.ashx?id=4da09cda-d2a0-487a-995e-efe3e67fc58f
download MSPSpectrumMsp.ashx?id=4da09cda-d2a0-487a-995e-efe3e67fc58f

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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