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Maltitol (9TMS)

 

Replica Mass Spectra of Maltitol (9TMS)

replicalib entry datedetectionmethodspecies
111 September 2005  M[FAME4090]Standard
311 September 2005  M[FAME4090]Standard
930 March 2011  Fiehn_GC_2010 
401 October 2001 MS-TOFM[EIGTMS]Standard
525 January 2005 MS-TOFM[MOR] 
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
chromatogram1215BK15
citationSchauer N, Steinhauser D, Strelkov S, Schomburg D, Allison G, Moritz T, Lundgren K, Roessner-Tunali U, Forbes MG, Willmitzer L, Fernie AR, Kopka J (2005) FEBS Letters 579, 1332-1337
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 July 2001
metabolite roleMETB
retention time (sec)2,439.18
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 cardinality50 intensities
minimal m/z73
maximal m/z525
download JCAMP DXSpectrumJcampDx.ashx?id=6fc5e23e-5b5b-49c9-b030-4c1c67d08304
download MSPSpectrumMsp.ashx?id=6fc5e23e-5b5b-49c9-b030-4c1c67d08304

GC-Method

nameM[2]
citationRoessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142
attributetextdetails
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:Low to High; WIDTH: 20; SUBTRACTION: two; RESOLUTION: low; SENSITIVITY: low; SHAPE: low
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>45min37°C
detectorMS-Quadm/z = 35-600; scans:2/s; MD 800 Thermo-Finnigan, San Jose, CA, 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:iso1min70°C, ramp9°C/min, iso5min350°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 230°C; TRANSFER:250°C; IONSOURCE:250°C

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