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Glucopyranose, D- (5TMS)


Replica Mass Spectra of Glucopyranose, D- (5TMS)

replicalib entry datedetectionmethodspecies
709 July 2008 MS-TOFVAR5Reference Substance
201 November 2001 MS-TOFM[EIGTMS]Corynebacterium glutamicum
803 November 2010  Schomburg_GC_2010 
301 December 2003 MS-QuadM[2]Standard
414 November 2003 MS-QuadM[2]Arabidopsis thaliana
514 November 2003 MS-QuadM[2]Arabidopsis thaliana
612 June 2003 MS-QuadM[2]Arabidopsis thaliana
7 spectrum(a)
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Spectrum Details

analyteGlucopyranose, D- (5TMS)
analyte InChIInChI=1S/C21H52O6Si5/c1-28(2,3)22-16-17-18(24-29(4,5)6)19(25-30(7,8)9)20(26-31(10,11)12)21(23-17)27-32(13,14)15/h17-21H,16H2,1-15H3/t17-,18-,19+,20-,21?/m1/s1
analyte mass541.06
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
authorsKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date01 October 2001
metabolite roleMST
retention time (sec)739.44
retention index (VAR5 method, n-alkanes C10–C36)1,961 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality66 intensities
minimal m/z73
maximal m/z435
download JCAMP DXSpectrumJcampDx.ashx?id=a751e18d-a8a9-4758-a78e-08af536b903c
download MSPSpectrumMsp.ashx?id=a751e18d-a8a9-4758-a78e-08af536b903c


citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:non scanning; WIDTH: 20; SUBTRACTION: two; RESOLUTION: high; SENSITIVITY: medium; SHAPE: high
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>60min37°C
detectorMS-TOFMZ:70-600; SCANS:6/s; Pegasus II TOF-MS; LECO, St. Joseph, MI, USA
extractionmethanol:water (4:1; v/v); 15min70°C 
ion sourceEI70eV
metabolic inactivationcut; liquid nitrogen; -80°C 
partitioningmethanol fraction of a methanol:water:chloroform (approx. 2:2:1, v/v/v) partitioning 
RIALKANEC12, C15, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #NA (Restek, Bad Homburg, Germany); PROGRAM:iso2min80°C, ramp15°C/min, iso2min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C, 2min110psi; TRANSFER:250°C; IONSOURCE:200°C

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