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Trehalose, alpha,alpha'-, D- (8TMS)

 

Replica Mass Spectra of Trehalose, alpha,alpha'-, D- (8TMS)

replicalib entry datedetectionmethodspecies
212 October 2005 MS-TRAPM[BAR] 
311 September 2005  M[FAME4090]Standard
412 June 2003 MS-QuadM[2]Arabidopsis thaliana
522 February 2005 MS-TOFM[STR] 
601 December 2002 MS-QuadM[2]Cucurbita pepo
701 December 2002 MS-QuadM[2]Medicago truncatula Gaertn.
2528 August 2012  MassBank GC 2010 Tsujimoto 
2828 August 2012  MassBank GC 2010 Ara 
2928 August 2012  MassBank GC 2010 Ara 
811 September 2005  M[FAME4090]Standard
28 spectrum(a)
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Spectrum Details

analyteTrehalose, alpha,alpha'-, D- (8TMS)
analyte InChIInChI=1S/C36H86O11Si8/c1-48(2,3)37-25-27-29(42-50(7,8)9)31(44-52(13,14)15)33(46-54(19,20)21)35(39-27)41-36-34(47-55(22,23)24)32(45-53(16,17)18)30(43-51(10,11)12)28(40-36)26-38-49(4,5)6/h27-36H,25-26H2,1-24H3
analyte mass919.75
chromatogramNA(_49)
citation 
authorsRoessner-Tunali U, Forbes MG, University of Melbourne, School of Botany, 3010 Victoria, Australia
lib entry date19 January 2005
metabolite roleMETB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)2.733,35 (predicted, according to Strehmel, N. et.al)
base peak (m/z)361
maximal intensity999
mass-intensity-peaks cardinality227 intensities
minimal m/z70
maximal m/z566
download JCAMP DXSpectrumJcampDx.ashx?id=41a6b2cf-4255-4134-8a97-0b3417dd122b
download MSPSpectrumMsp.ashx?id=41a6b2cf-4255-4134-8a97-0b3417dd122b

GC-Method

nameM[ROE]
citationU. Roessner, J. Patterson, M. Forbes, G. Fincher, P. Langridge, A. Bacic, Plant Physiology 142 (2006) 1087
attributetextdetails
deconvolutionXcalibur program 
derivatizationMEOX; MSTFAMETHOXYAMINATION: 120min at 37°C; SILYLATION: 30min at 37°C
detectorMS-QUADm/z = 70-600; scans:2/s; DSQ quadrupole mass spectrometer
extractionmethanol:chloroform 
ion sourceEI70eV
RIALKANEC12, C15, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane, 30+10m, ID:0.25mm, DF:0.25µm, VF-5MS (Varian, Darmstadt, Germany); PROGRAM:injection at 70°C, ramp 1°C/min to 76°C, ramp 6°C/min to 330°C, iso at 330°C for 10min; FLOW:Helium, 1mL/min; INJECTION:1µL, splitless, 230°C; TRANSFER:280°C; IONSOURCE:250°C

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