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


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

replicalib entry datedetectionmethodspecies
119 January 2005 MS-QUADM[ROE] 
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] 
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
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 December 2002
metabolite roleMETB
retention time (sec)2,424.54
retention index (VAR5 method, n-alkanes C10–C36)2,733.35 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality181 intensities
minimal m/z40
maximal m/z584
download JCAMP DXSpectrumJcampDx.ashx?id=85ef18ad-9baf-4332-8d5a-3ba5d2679972
download MSPSpectrumMsp.ashx?id=85ef18ad-9baf-4332-8d5a-3ba5d2679972


citationRoessner U, Wagner C, Kopka J, Trethewey RN, Willmitzer L (2000) Plant J 23, 131-142
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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