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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
501 May 2001 MS-TOFM[EIGTMS]Solanum tuberosum
622 February 2005 MS-TOFM[STR] 
719 January 2005 MS-QUADM[ROE] 
825 January 2005 MS-TOFM[MOR] 
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
chromatogramNA(_27)
citationBarsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
authorsBarsch A, Puehse M, Persicke M, Bielefeld University, Department of Molecular Phytopathology (Prof. Niehaus K), D-33501 Bielefeld, Germany
lib entry date12 October 2005
metabolite roleMETB
retention time (sec)1,922.4
retention index (VAR5 method, n-alkanes C10–C36)1.923,47 (predicted, according to Strehmel, N. et.al)
base peak (m/z)333
maximal intensity999
mass-intensity-peaks cardinality220 intensities
minimal m/z54
maximal m/z519
download JCAMP DXSpectrumJcampDx.ashx?id=f8cf322c-793d-409e-beff-97d058aa923c
download MSPSpectrumMsp.ashx?id=f8cf322c-793d-409e-beff-97d058aa923c

GC-Method

nameM[BAR]
citationBarsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
attributetextdetails
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA 
derivatizationMEOX; TMSMethoxyamination:90min37°C; Trimethylsilylation:30min37°C
detectorMS-TRAPMZ:50-550; SCANS:2/s; PolarisQ; Thermo-Finnigan, Dreieich, Germany
extractionmethanol:water (4:1; v/v); 70°C 
ion sourceEI70eV
metabolic inactivationfiltration; liquid nitrogen; lyophilization 
partitioningnone 
RIALKANEC12, C15, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane, 30m, ID:0.25mm, DF:0.25microm, EQUITY-5, #NA (Supelco, Bellfonte, CA, USA); PROGRAM:iso3min80°C, ramp3°C/min, iso1min300°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 250°C; TRANSFER:250°C; IONSOURCE:200°C

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