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Sucrose (8TMS)


Replica Mass Spectra of Sucrose (8TMS)

replicalib entry datedetectionmethodspecies
122 February 2005 MS-TOFM[STR] 
4028 August 2012  MassBank GC 2010 Kusano 
212 October 2005 MS-TRAPM[BAR] 
425 January 2005 MS-TOFM[MOR] 
505 October 2004 MS-QuadM[2]Standard
3617 March 2010 MS-TOFVAR5Brassica oleracea
626 November 2004  M[FAME4090]Standard
3803 November 2010  Schomburg_GC_2010 
819 July 2007 MS-TOFVAR5Reference Substance
919 July 2007 MS-TOFMDN35Reference Substance
34 spectrum(a)
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Spectrum Details

analyteSucrose (8TMS)
analyte InChIInChI=1S/C36H86O11Si8/c1-48(2,3)37-25-28-30(43-51(10,11)12)32(45-53(16,17)18)33(46-54(19,20)21)35(40-28)42-36(27-39-50(7,8)9)34(47-55(22,23)24)31(44-52(13,14)15)29(41-36)26-38-49(4,5)6/h28-35H,25-27H2,1-24H3/t28-,29-,30-,31-,32+,33-,34+,35-,36+/m1/s1
analyte mass919.75
authorsLiebig F, Erban A, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date15 March 2005
metabolite roleMETB
retention time (sec)1,612.19
retention index (VAR5 method, n-alkanes C10–C36)2.632,34 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality226 intensities
minimal m/z70
maximal m/z467
download JCAMP DXSpectrumJcampDx.ashx?id=813fcbb1-f95b-4d39-af9d-35e94f42acd4
download MSPSpectrumMsp.ashx?id=813fcbb1-f95b-4d39-af9d-35e94f42acd4


citationErban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:1_SMOOTHING:3_WIDTH:6_SN:>2
derivatizationMEOX; TMSMethoxyamination:90min40°C; Trimethylsilylation:45min40°C
detectorMS-TOFMZ:70-600; SCANS:20/s; Pegasus III TOF-MS; LECO, St. Joseph, MI, 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, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #525560 (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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