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Isomaltose (1MEOX) (8TMS) BP


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

replicalib entry datedetectionmethodspecies
125 January 2005 MS-TOFM[MOR] 
1005 June 2013  MRI_2013 
803 November 2010  Schomburg_GC_2010 
201 November 2001 MS-TOFM[EIGTMS]Standard
419 July 2007 MS-TOFVAR5Reference Substance
930 March 2011  Fiehn_GC_2010 
511 September 2005  M[FAME4090]Standard
601 October 2001 MS-TOFM[EIGTMS]Standard Addition
711 September 2005  M[FAME4090]Standard
9 spectrum(a)
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Spectrum Details

analyteIsomaltose (1MEOX) (8TMS) BP
analyte InChI
analyte mass948.79
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)1,742.95
retention index (VAR5 method, n-alkanes C10–C36)2.891,66 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality208 intensities
minimal m/z70
maximal m/z599
download JCAMP DXSpectrumJcampDx.ashx?id=2df3701b-c473-41c0-9684-93f61704cf01
download MSPSpectrumMsp.ashx?id=2df3701b-c473-41c0-9684-93f61704cf01


citationErban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA
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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