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Isomaltose (1MEOX) (8TMS) MP

 

Replica Mass Spectra of Isomaltose (1MEOX) (8TMS) MP

replicalib entry datedetectionmethodspecies
101 November 2001 MS-TOFM[EIGTMS]Standard
1130 March 2011  Fiehn_GC_2010 
1205 June 2013  MRI_2013 
225 January 2005 MS-TOFM[MOR] 
301 October 2001 MS-TOFM[EIGTMS]Standard Addition
411 September 2005  M[FAME4090]Standard
519 July 2007 MS-TOFVAR5Reference Substance
1003 November 2010  Schomburg_GC_2010 
701 February 2005 MS-TOFM[6]Reference Substance
811 September 2005  M[FAME4090]Standard
11 spectrum(a)
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Spectrum Details

analyteIsomaltose (1MEOX) (8TMS) MP
analyte InChI
analyte mass948.79
chromatogram4132GX3
citation 
authorsLiebig F, Erban A, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date15 March 2005
metabolite roleMETB
retention time (sec)1,728.05
retention index (VAR5 method, n-alkanes C10–C36)2,856.74 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality264 intensities
minimal m/z70
maximal m/z600
download JCAMP DXSpectrumJcampDx.ashx?id=0a9fc885-e00e-4f26-a967-a30bf4b2ca51
download MSPSpectrumMsp.ashx?id=0a9fc885-e00e-4f26-a967-a30bf4b2ca51

GC-Method

nameM[6]
citationErban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA
attributetextdetails
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:1_SMOOTHING:3_WIDTH:6_SN:>2
derivatizationMEOX; TMSMethoxyamination:90min40°C; Trimethylsilylation:45min40°C
detectorMS-TOFMZ:70-600; SCANS:20/s; Pegasus III 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, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #525560 (Restek, Bad Homburg, Germany); PROGRAM:iso1min70°C, ramp9°C/min, iso5min350°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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