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Fructose (1MEOX) (5TMS) MP

 

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

replicalib entry datedetectionmethodspecies
125 January 2005 MS-TOFM[MOR] 
201 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
312 October 2005 MS-TRAPM[BAR] 
3505 June 2013  MRI_2013 
3130 March 2011  Fiehn_GC_2010 
401 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
501 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
612 June 2003 MS-QuadM[2]Arabidopsis thaliana
801 September 2001 MS-QuadM[2]Standard Addition
919 July 2007 MS-TOFVAR5Reference Substance
34 spectrum(a)
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Spectrum Details

analyteFructose (1MEOX) (5TMS) MP
analyte InChIInChI=1S/C22H55NO6Si5/c1-24-23-19(17-25-30(2,3)4)21(28-33(11,12)13)22(29-34(14,15)16)20(27-32(8,9)10)18-26-31(5,6)7/h20-22H,17-18H2,1-16H3/b23-19+/t20-,21-,22-/m1/s1
analyte mass570.1
chromatogram1185EK18
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
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 date01 June 2001
metabolite roleMETB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)1,857.59 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality121 intensities
minimal m/z70
maximal m/z366
download JCAMP DXSpectrumJcampDx.ashx?id=0e712dbd-364b-489d-bcf1-32537df0527a
download MSPSpectrumMsp.ashx?id=0e712dbd-364b-489d-bcf1-32537df0527a

GC-Method

nameM[EIGTMS]
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
attributetextdetails
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:non scanning; WIDTH: 20; SUBTRACTION: two; RESOLUTION: high; SENSITIVITY: medium; SHAPE: high
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>60min37°C
detectorMS-TOFMZ:70-600; SCANS:6/s; Pegasus II 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, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #NA (Restek, Bad Homburg, Germany); PROGRAM:iso2min80°C, ramp15°C/min, iso2min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C, 2min110psi; TRANSFER:250°C; IONSOURCE:200°C

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