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Fructose-6-phosphate (1MEOX) (6TMS) MP

 

Replica Mass Spectra of Fructose-6-phosphate (1MEOX) (6TMS) MP

replicalib entry datedetectionmethodspecies
126 November 2004  M[FAME4090]Standard
211 September 2005  M[FAME4090]Standard
2203 November 2010  Schomburg_GC_2010 
422 February 2005 MS-TOFM[STR] 
2428 August 2012  MassBank GC 2010 Ara 
625 January 2005 MS-TOFM[MOR] 
701 May 2001 MS-TOFM[EIGTMS]Standard Addition
2328 August 2012  MassBank GC 2010 Kusano 
801 November 2001 MS-QuadM[2]Standard
901 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
21 spectrum(a)
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Spectrum Details

analyteFructose-6-phosphate (1MEOX) (6TMS) MP
analyte InChIInChI=1S/C25H64NO9PSi6/c1-28-26-22(20-30-37(2,3)4)24(32-39(8,9)10)25(33-40(11,12)13)23(31-38(5,6)7)21-29-36(27,34-41(14,15)16)35-42(17,18)19/h23-25H,20-21H2,1-19H3/b26-22+/t23-,24-,25-/m1/s1
analyte mass722.26
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)2,294.36 (predicted, according to Strehmel, N. et.al)
base peak (m/z)315
maximal intensity999
mass-intensity-peaks cardinality320 intensities
minimal m/z70
maximal m/z585
download JCAMP DXSpectrumJcampDx.ashx?id=aa979361-a692-4b56-942b-62987d6c92e3
download MSPSpectrumMsp.ashx?id=aa979361-a692-4b56-942b-62987d6c92e3

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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