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Xylulose (1MEOX) (4TMS) MP

 

Replica Mass Spectra of Xylulose (1MEOX) (4TMS) MP

replicalib entry datedetectionmethodspecies
1023 July 2012 MS-TOFVAR5 
810 December 2010 MS-TOFVAR5 
122 February 2005 MS-TOFM[STR] 
225 January 2005 MS-TOFM[MOR] 
903 November 2010  Schomburg_GC_2010 
319 July 2007 MS-TOFVAR5Reference Substance
1228 August 2012  MassBank GC 2010 Kusano 
522 February 2005 MS-TOFM[STR] 
1528 August 2012  MassBank GC 2010 Ara 
1628 August 2012  MassBank GC 2010 Ara 
11 spectrum(a)
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Spectrum Details

analyteXylulose (1MEOX) (4TMS) MP
analyte InChIInChI=1S/C18H45NO5Si4/c1-20-19-16(14-21-25(2,3)4)18(24-28(11,12)13)17(23-27(8,9)10)15-22-26(5,6)7/h17-18H,14-15H2,1-13H3/b19-16+/t17-,18-/m1/s1
analyte mass467.9
chromatogram6054hf_33
citation 
authorsBoelling C, Liebig F, Erban A, Kopka 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 date19 July 2007
metabolite roleMST
retention time (sec)495.68
retention index (VAR5 method, n-alkanes C10–C36) 
base peak (m/z)73
maximal intensity324,883
mass-intensity-peaks cardinality460 intensities
minimal m/z45
maximal m/z997
download JCAMP DXSpectrumJcampDx.ashx?id=7f29aae8-c110-4587-bbf3-e52e79c84e0f
download MSPSpectrumMsp.ashx?id=7f29aae8-c110-4587-bbf3-e52e79c84e0f

GC-Method

nameMDN35
citationKopka J, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
attributetextdetails
deconvolutionChromaTOFBASELINE OFFSET: 1; SMOOTHING: 5; PEAK WIDTH: 3s; S/N: 10
derivatizationMEOX; MSTFAMETHOXYAMINATION: 120min at 37°C; TRIMETHYLSILYLATION: 30min at 37°C
detectorMS-TOFm/z = 70-600; scans:20/s;
extractionchloroform:dH2O (2:1; v/v); chloroform (20°C); dH2O (4°C)
ion sourceEI70eV
RIFAME, d6-CholesteroleFAME: C8, C9, C10, C12, C14, C16, C18, C20, C22, C24, C26, C28, C30
separationGCCOLUMN:35%phenyl-65%dimethylpolysiloxane, 30m, ID:0.32mm, DF:0.25µm, MDN-35 (Macherey-Nagel, Düren, Germany); PROGRAM:iso 2min 80°C, ramp 15°C/min, iso 6min 330°C; FLOW:Helium, 2mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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