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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 
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
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
chromatogramNA(_27)
citationBarsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
authorsBarsch A, Puehse M, Persicke M, Bielefeld University, Department of Molecular Phytopathology (Prof. Niehaus K), D-33501 Bielefeld, Germany
lib entry date12 October 2005
metabolite roleMETB
retention time (sec)2,668.8
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 cardinality182 intensities
minimal m/z55
maximal m/z540
download JCAMP DXSpectrumJcampDx.ashx?id=ff90faee-3bed-411d-a369-0eda4555f3ab
download MSPSpectrumMsp.ashx?id=ff90faee-3bed-411d-a369-0eda4555f3ab

GC-Method

nameM[BAR]
citationBarsch A, Patschkowski T, Niehaus K (2004) Funct Integrat Genomics 4, 219-230
attributetextdetails
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USA 
derivatizationMEOX; TMSMethoxyamination:90min37°C; Trimethylsilylation:30min37°C
detectorMS-TRAPMZ:50-550; SCANS:2/s; PolarisQ; Thermo-Finnigan, Dreieich, Germany
extractionmethanol:water (4:1; v/v); 70°C 
ion sourceEI70eV
metabolic inactivationfiltration; liquid nitrogen; lyophilization 
partitioningnone 
RIALKANEC12, C15, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane, 30m, ID:0.25mm, DF:0.25microm, EQUITY-5, #NA (Supelco, Bellfonte, CA, USA); PROGRAM:iso3min80°C, ramp3°C/min, iso1min300°C; FLOW:Helium, 0.6ml/min; INJECTION:1microL, splitless, 250°C; TRANSFER:250°C; IONSOURCE:200°C

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