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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 
512 October 2005 MS-TRAPM[BAR] 
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(_43)
citation 
authorsMoritz T, Umea Plant Science Centre, Department of Forest Genetics and Plant Physiology, Swedish University of Agricultural Sciences, SE-901 83 Umea, Sweden
lib entry date25 January 2005
metabolite roleMETB
retention time (sec)438.5
retention index (VAR5 method, n-alkanes C10–C36)2.687,06 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality303 intensities
minimal m/z52
maximal m/z793
download JCAMP DXSpectrumJcampDx.ashx?id=de022b46-b3e5-4961-8228-aba927c6556a
download MSPSpectrumMsp.ashx?id=de022b46-b3e5-4961-8228-aba927c6556a

GC-Method

nameM[MOR]
citationGullberg J, Jonsson P, Nordström A, Sjöström M, Moritz T (2004) Anal Biochem 331, 283-295
attributetextdetails
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:NA; SMOOTHING:NA; WIDTH:2; SN:>10
derivatizationMEOX; TMSMETHOXYAMINATION: 60min60°C, 960min20°C; SILYLATION:>60min40°C
detectorMS-TOFm/z:50-800; SCANS:30/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, USA
extractionmethanol:chloroform:water (3:1:1; v/v/v) 15min at 60°C 
ion sourceEI70eV
metabolic inactivationcut; liquid nitrogen; -80°C 
partitioningnone 
RIALKANEC12, C13, C14, C15, C16, C17, C18, C19, C20, C21, C22, C23, C24, C25
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane, 10m, ID:0.18mm, DF:0.18µm, DB-5-MS (J&W Scientific, Folsom, CA, USA); PROGRAM: iso 2min at 70°C, ramp 40°C/min, iso 1min at 320°C; FLOW:Helium, 1.0ml/min: INJECTION:1µL, splitless, 270°C; TRANSFER:250°C; IONSOURCE:200°C

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