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Maltitol (9TMS)

 

Replica Mass Spectra of Maltitol (9TMS)

replicalib entry datedetectionmethodspecies
111 September 2005  M[FAME4090]Standard
201 July 2001 MS-QuadM[2]Standard
311 September 2005  M[FAME4090]Standard
930 March 2011  Fiehn_GC_2010 
401 October 2001 MS-TOFM[EIGTMS]Standard
626 November 2004  M[FAME4090]Standard
701 February 2005 MS-TOFM[6]Reference Substance
1005 June 2013  MRI_2013 
819 July 2007 MS-TOFVAR5Reference Substance
9 spectrum(a)
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Spectrum Details

analyteMaltitol (9TMS)
analyte InChIInChI=1S/C39H96O11Si9/c1-51(2,3)40-28-31-35(47-56(16,17)18)37(49-58(22,23)24)38(50-59(25,26)27)39(43-31)44-34(32(45-54(10,11)12)29-41-52(4,5)6)36(48-57(19,20)21)33(46-55(13,14)15)30-42-53(7,8)9/h31-39H,28-30H2,1-27H3/t31-,32-,33+,34-,35-,36-,37+,38-,39-/m1/s1
analyte mass993.94
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)453.1
retention index (VAR5 method, n-alkanes C10–C36)2.825,89 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality166 intensities
minimal m/z53
maximal m/z643
download JCAMP DXSpectrumJcampDx.ashx?id=3c6022a0-a5be-4c75-96a2-a95cad43f116
download MSPSpectrumMsp.ashx?id=3c6022a0-a5be-4c75-96a2-a95cad43f116

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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