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Fructose (1MEOX) (5TMS) BP

 

Replica Mass Spectra of Fructose (1MEOX) (5TMS) BP

replicalib entry datedetectionmethodspecies
910 December 2010 MS-TOFVAR5 
109 December 2004 MS-TOFM[6]Oryza sativa
401 October 2001 MS-TOFM[EIGTMS]Saccharomyces cerevisiae
3 spectrum(a)
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Spectrum Details

analyteFructose (1MEOX) (5TMS) BP
analyte InChI
analyte mass575
chromatogram4324GX58
citation 
authorsKopka 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 date09 December 2004
metabolite roleIS (QUAN)
retention time (sec)1,211.62
retention index (VAR5 method, n-alkanes C10–C36)1,867.37 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality123 intensities
minimal m/z70
maximal m/z370
download JCAMP DXSpectrumJcampDx.ashx?id=b546eb20-1dc1-4f91-9827-35d75fa23098
download MSPSpectrumMsp.ashx?id=b546eb20-1dc1-4f91-9827-35d75fa23098

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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