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Diethylenglycol (2TMS)

 

Replica Mass Spectra of Diethylenglycol (2TMS)

replicalib entry datedetectionmethodspecies
1405 June 2013  MRI_2013 
122 January 2005 MS-QUADM[ROE] 
212 May 2005  M[NIST] 
301 December 2003 MS-QuadM[2]Arabidopsis thaliana
412 June 2003 MS-QuadM[2]Arabidopsis thaliana
1119 April 2010 MS-TOFVAR5Multi Mix
1203 November 2010  Schomburg_GC_2010 
501 May 2001 MS-TOFM[EIGTMS]Standard Addition
712 May 2005  M[NIST] 
815 March 2005 MS-TOFM[6]Reference Substance
13 spectrum(a)
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Spectrum Details

analyteDiethylenglycol (2TMS)
analyte InChIInChI=1S/C10H26O3Si2/c1-14(2,3)12-9-7-11-8-10-13-15(4,5)6/h7-10H2,1-6H3
analyte mass250.48
chromatogramNA(_54)
citation 
authorsRoessner-Tunali U, Forbes MG, University of Melbourne, School of Botany, 3010 Victoria, Australia
lib entry date22 January 2005
metabolite roleCONT-MST
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1.235,3 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality86 intensities
minimal m/z70
maximal m/z337
download JCAMP DXSpectrumJcampDx.ashx?id=08aa8bd8-d250-457b-842d-a4916d59cea4
download MSPSpectrumMsp.ashx?id=08aa8bd8-d250-457b-842d-a4916d59cea4

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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