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Turanose (1MEOX) (8TMS) BP

 

Replica Mass Spectra of Turanose (1MEOX) (8TMS) BP

replicalib entry datedetectionmethodspecies
730 March 2011  Fiehn_GC_2010 
101 May 2001 MS-TOFM[EIGTMS]Standard
226 November 2004  M[FAME4090]Standard
419 July 2007 MS-TOFVAR5Reference Substance
525 January 2005 MS-TOFM[MOR] 
805 June 2013  MRI_2013 
603 November 2010  Schomburg_GC_2010 
7 spectrum(a)
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Spectrum Details

analyteTuranose (1MEOX) (8TMS) BP
analyte InChIInChI=1S/C37H89NO11Si8/c1-39-38-29(26-40-50(2,3)4)32(34(47-55(17,18)19)31(45-53(11,12)13)28-42-52(8,9)10)44-37-36(49-57(23,24)25)35(48-56(20,21)22)33(46-54(14,15)16)30(43-37)27-41-51(5,6)7/h30-37H,26-28H2,1-25H3/b38-29-/t30-,31-,32-,33-,34-,35+,36-,37?/m1/s1
analyte mass948.79
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)2,734.11 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality230 intensities
minimal m/z70
maximal m/z569
download JCAMP DXSpectrumJcampDx.ashx?id=5c603a40-1d6c-4124-a734-4f7dcdcbd873
download MSPSpectrumMsp.ashx?id=5c603a40-1d6c-4124-a734-4f7dcdcbd873

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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