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Glucuronic acid (1MEOX) (5TMS) BP

 

Replica Mass Spectra of Glucuronic acid (1MEOX) (5TMS) BP

replicalib entry datedetectionmethodspecies
219 July 2007 MS-TOFVAR5Reference Substance
312 October 2005 MS-TRAPM[BAR] 
401 March 2002 MS-QuadM[2]Standard
1328 August 2012  MassBank GC 2010 Tsujimoto 
526 November 2004  M[FAME4090]Standard
625 January 2005 MS-TOFM[MOR] 
715 March 2005 MS-TOFM[6]Reference Substance
811 September 2005  M[FAME4090]Standard
1405 June 2013  MRI_2013 
922 February 2005 MS-TOFM[STR] 
13 spectrum(a)
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Spectrum Details

analyteGlucuronic acid (1MEOX) (5TMS) BP
analyte InChIInChI=1S/C22H53NO7Si5/c1-25-23-17-18(26-31(2,3)4)19(27-32(5,6)7)20(28-33(8,9)10)21(29-34(11,12)13)22(24)30-35(14,15)16/h17-21H,1-16H3/b23-17-/t18-,19+,20-,21-/m0/s1
analyte mass584.09
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)1.942,97 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality254 intensities
minimal m/z70
maximal m/z479
download JCAMP DXSpectrumJcampDx.ashx?id=e3f018aa-1d25-4189-835d-019e9cf9179a
download MSPSpectrumMsp.ashx?id=e3f018aa-1d25-4189-835d-019e9cf9179a

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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