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Glucuronic acid (1MEOX) (5TMS) MP


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

replicalib entry datedetectionmethodspecies
222 February 2005 MS-TOFM[STR] 
314 October 2003 MS-QuadM[2]Standard
1528 August 2012  MassBank GC 2010 Tsujimoto 
419 July 2007 MS-TOFVAR5Reference Substance
622 February 2005 MS-TOFM[STR] 
719 January 2005 MS-QUADM[ROE] 
825 January 2005 MS-TOFM[MOR] 
912 October 2005 MS-TRAPM[BAR] 
1001 March 2002 MS-QuadM[2]Standard
1115 March 2005 MS-TOFM[6]Reference Substance
15 spectrum(a)
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Spectrum Details

analyteGlucuronic acid (1MEOX) (5TMS) MP
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
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 May 2001
metabolite roleMETB
retention time (sec)754.2
retention index (VAR5 method, n-alkanes C10–C36)1.923,47 (predicted, according to Strehmel, N. et.al)
base peak (m/z)160
maximal intensity999
mass-intensity-peaks cardinality71 intensities
minimal m/z72
maximal m/z572
download JCAMP DXSpectrumJcampDx.ashx?id=ff8ebbed-7ed8-42b0-a26a-61e39e1ccce0
download MSPSpectrumMsp.ashx?id=ff8ebbed-7ed8-42b0-a26a-61e39e1ccce0


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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