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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] 
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
authorsMoritz T, Umea Plant Science Centre, Department of Forest Genetics and Plant Physiology, Swedish University of Agricultural Sciences, SE-901 83 Umea, Sweden
lib entry date25 January 2005
metabolite roleMETB
retention time (sec)338.1
retention index (VAR5 method, n-alkanes C10–C36)1.923,47 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality188 intensities
minimal m/z53
maximal m/z425
download JCAMP DXSpectrumJcampDx.ashx?id=1970ce8d-026c-4ee2-9c12-9341e2d6c5be
download MSPSpectrumMsp.ashx?id=1970ce8d-026c-4ee2-9c12-9341e2d6c5be


citationGullberg J, Jonsson P, Nordström A, Sjöström M, Moritz T (2004) Anal Biochem 331, 283-295
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:NA; SMOOTHING:NA; WIDTH:2; SN:>10
derivatizationMEOX; TMSMETHOXYAMINATION: 60min60°C, 960min20°C; SILYLATION:>60min40°C
detectorMS-TOFm/z:50-800; SCANS:30/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, USA
extractionmethanol:chloroform:water (3:1:1; v/v/v) 15min at 60°C 
ion sourceEI70eV
metabolic inactivationcut; liquid nitrogen; -80°C 
RIALKANEC12, C13, C14, C15, C16, C17, C18, C19, C20, C21, C22, C23, C24, C25
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane, 10m, ID:0.18mm, DF:0.18µm, DB-5-MS (J&W Scientific, Folsom, CA, USA); PROGRAM: iso 2min at 70°C, ramp 40°C/min, iso 1min at 320°C; FLOW:Helium, 1.0ml/min: INJECTION:1µL, splitless, 270°C; TRANSFER:250°C; IONSOURCE:200°C

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