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Cellobiose, D- (1MEOX) (8TMS) MP

 

Replica Mass Spectra of Cellobiose, D- (1MEOX) (8TMS) MP

replicalib entry datedetectionmethodspecies
730 March 2011  Fiehn_GC_2010 
119 January 2005 MS-QUADM[ROE] 
805 June 2013  MRI_2013 
219 July 2007 MS-TOFVAR5Reference Substance
326 November 2004  M[FAME4090]Reference Substance
603 November 2010  Schomburg_GC_2010 
425 January 2005 MS-TOFM[MOR] 
7 spectrum(a)
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Spectrum Details

analyteCellobiose, D- (1MEOX) (8TMS) MP
analyte InChIInChI=1S/C37H89NO11Si8/c1-39-38-26-29(44-52(8,9)10)33(46-54(14,15)16)32(31(45-53(11,12)13)28-41-51(5,6)7)43-37-36(49-57(23,24)25)35(48-56(20,21)22)34(47-55(17,18)19)30(42-37)27-40-50(2,3)4/h26,29-37H,27-28H2,1-25H3/b38-26+
analyte mass948.79
chromatogramNA(_27)
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)2,727.6
retention index (VAR5 method, n-alkanes C10–C36)2.687,06 (predicted, according to Strehmel, N. et.al)
base peak (m/z)361
maximal intensity999
mass-intensity-peaks cardinality243 intensities
minimal m/z54
maximal m/z549
download JCAMP DXSpectrumJcampDx.ashx?id=8dfdf974-9cfc-4ada-a496-c7ff94a3e833
download MSPSpectrumMsp.ashx?id=8dfdf974-9cfc-4ada-a496-c7ff94a3e833

GC-Method

nameM[BAR]
citationBarsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
attributetextdetails
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 
partitioningnone 
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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