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Glucose (1MEOX) (5TMS) BP


Replica Mass Spectra of Glucose (1MEOX) (5TMS) BP

replicalib entry datedetectionmethodspecies
119 July 2007 MS-TOFVAR5Reference Substance
212 October 2005 MS-TRAPM[BAR] 
422 February 2005 MS-TOFM[STR] 
522 February 2005 MS-TOFM[STR] 
2703 November 2010  Schomburg_GC_2010 
2610 December 2010 MS-TOFVAR5 
619 July 2007 MS-TOFVAR5Reference Substance
826 November 2004  M[FAME4090]Standard
2830 March 2011  Fiehn_GC_2010 
3028 August 2012  MassBank GC 2010 Kusano 
29 spectrum(a)
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Spectrum Details

analyteGlucose (1MEOX) (5TMS) BP
analyte InChIInChI=1S/C22H55NO6Si5/c1-24-23-17-19(26-31(5,6)7)21(28-33(11,12)13)22(29-34(14,15)16)20(27-32(8,9)10)18-25-30(2,3)4/h17,19-22H,18H2,1-16H3/b23-17-/t19-,20+,21+,22+/m0/s1
analyte mass570.1
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 August 2002
metabolite roleMETB-METB
retention time (sec)1,681.62
retention index (VAR5 method, n-alkanes C10–C36)1,904.1 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality126 intensities
minimal m/z41
maximal m/z376
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download MSPSpectrumMsp.ashx?id=ee299e5c-8051-46b3-9916-68c940ac1b4d


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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