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Melibiose (1MEOX) (8TMS) BP

 

Replica Mass Spectra of Melibiose (1MEOX) (8TMS) BP

replicalib entry datedetectionmethodspecies
1228 August 2012  MassBank GC 2010 Ara 
1128 August 2012  MassBank GC 2010 Tsujimoto 
126 November 2004  M[FAME4090]Standard
1305 June 2013  MRI_2013 
930 March 2011  Fiehn_GC_2010 
1028 August 2012  MassBank GC 2010 Kusano 
219 July 2007 MS-TOFVAR5Reference Substance
319 January 2005 MS-QUADM[ROE] 
419 July 2007 MS-TOFMDN35Reference Substance
803 November 2010  Schomburg_GC_2010 
12 spectrum(a)
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Spectrum Details

analyteMelibiose (1MEOX) (8TMS) BP
analyte InChI
analyte mass948.79
chromatogram2009AU07
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 January 2002
metabolite roleMETB
retention time (sec)2,481.9
retention index (VAR5 method, n-alkanes C10–C36)2,864.69 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality50 intensities
minimal m/z44
maximal m/z364
download JCAMP DXSpectrumJcampDx.ashx?id=7e1bf1e8-0959-4e43-ac9f-ae0b55a1144a
download MSPSpectrumMsp.ashx?id=7e1bf1e8-0959-4e43-ac9f-ae0b55a1144a

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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