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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] 
3617 March 2010 MS-TOFVAR5Brassica oleracea
626 November 2004  M[FAME4090]Standard
715 March 2005 MS-TOFM[6]Reference Substance
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
chromatogram3225BF29
citation 
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 date05 October 2004
metabolite roleMETB
retention time (sec)2,325.72
retention index (VAR5 method, n-alkanes C10–C36)2.632,34 (predicted, according to Strehmel, N. et.al)
base peak (m/z)361
maximal intensity999
mass-intensity-peaks cardinality287 intensities
minimal m/z41
maximal m/z565
download JCAMP DXSpectrumJcampDx.ashx?id=7ebd55f2-a4ef-4ec5-bf6e-201be581d353
download MSPSpectrumMsp.ashx?id=7ebd55f2-a4ef-4ec5-bf6e-201be581d353

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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