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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
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
701 June 2001 MS-TOFM[EIGTMS]Standard
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
citationBarsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
authorsBarsch A, Puehse M, Persicke M, Bielefeld University, Department of Molecular Phytopathology (Prof. Niehaus K), D-33501 Bielefeld, Germany
lib entry date12 October 2005
metabolite roleMETB
retention time (sec)1,845
retention index (VAR5 method, n-alkanes C10–C36)1,857.59 (predicted, according to Strehmel, N. et.al)
base peak (m/z)217
maximal intensity999
mass-intensity-peaks cardinality251 intensities
minimal m/z53
maximal m/z527
download JCAMP DXSpectrumJcampDx.ashx?id=2d8b2736-a9ef-4f3d-9377-0ff4eccd9092
download MSPSpectrumMsp.ashx?id=2d8b2736-a9ef-4f3d-9377-0ff4eccd9092


citationBarsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA 
derivatizationMEOX; TMSMethoxyamination:90min37°C; Trimethylsilylation:30min37°C
detectorMS-TRAPMZ:50-550; SCANS:2/s; PolarisQ; Thermo-Finnigan, Dreieich, Germany
extractionmethanol:water (4:1; v/v); 70°C 
ion sourceEI70eV
metabolic inactivationfiltration; liquid nitrogen; lyophilization 
RIALKANEC12, C15, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane, 30m, ID:0.25mm, DF:0.25microm, EQUITY-5, #NA (Supelco, Bellfonte, CA, USA); PROGRAM:iso3min80°C, ramp3°C/min, iso1min300°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 250°C; TRANSFER:250°C; IONSOURCE:200°C

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