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Turanose (1MEOX) (8TMS) BP

 

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

replicalib entry datedetectionmethodspecies
730 March 2011  Fiehn_GC_2010 
226 November 2004  M[FAME4090]Standard
322 January 2005 MS-QUADM[ROE] 
419 July 2007 MS-TOFVAR5Reference Substance
525 January 2005 MS-TOFM[MOR] 
805 June 2013  MRI_2013 
603 November 2010  Schomburg_GC_2010 
7 spectrum(a)
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Spectrum Details

analyteTuranose (1MEOX) (8TMS) BP
analyte InChIInChI=1S/C37H89NO11Si8/c1-39-38-29(26-40-50(2,3)4)32(34(47-55(17,18)19)31(45-53(11,12)13)28-42-52(8,9)10)44-37-36(49-57(23,24)25)35(48-56(20,21)22)33(46-54(14,15)16)30(43-37)27-41-51(5,6)7/h30-37H,26-28H2,1-25H3/b38-29-/t30-,31-,32-,33-,34-,35+,36-,37?/m1/s1
analyte mass948.79
chromatogram1135EC00
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
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 May 2001
metabolite roleMETB
retention time (sec)1,040.5
retention index (VAR5 method, n-alkanes C10–C36)2,734.11 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality222 intensities
minimal m/z73
maximal m/z569
download JCAMP DXSpectrumJcampDx.ashx?id=5b0e9f86-dcce-435d-84eb-2260ca961eb3
download MSPSpectrumMsp.ashx?id=5b0e9f86-dcce-435d-84eb-2260ca961eb3

GC-Method

nameM[EIGTMS]
citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
attributetextdetails
deconvolutionAMDIS, National Institute of Standards and Technology, Gaithersburg, MD, USADIRECTION:non scanning; WIDTH: 20; SUBTRACTION: two; RESOLUTION: high; SENSITIVITY: medium; SHAPE: high
derivatizationMEOX; TMSMethoxyamination:60min37°C; Trimethylsilylation:>60min37°C
detectorMS-TOFMZ:70-600; SCANS:6/s; Pegasus II TOF-MS; LECO, St. Joseph, MI, 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:iso2min80°C, ramp15°C/min, iso2min350°C; FLOW:Helium, 1.0ml/min; INJECTION:1microL, splitless, 230°C, 2min110psi; TRANSFER:250°C; IONSOURCE:200°C

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