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Glucose-6-phosphate (1MEOX) (6TMS) BP

 

Replica Mass Spectra of Glucose-6-phosphate (1MEOX) (6TMS) BP

replicalib entry datedetectionmethodspecies
1828 August 2012  MassBank GC 2010 Kusano 
122 February 2005 MS-TOFM[STR] 
319 July 2007 MS-TOFVAR5Reference Substance
419 July 2007 MS-TOFVAR5Reference Substance
522 February 2005 MS-TOFM[STR] 
601 November 2001 MS-QuadM[2]Standard
2005 June 2013  MRI_2013 
701 August 2002 MS-QuadM[2]Lotus japonicus (Regel) K. Larsen
1928 August 2012  MassBank GC 2010 Ara 
812 June 2003 MS-QuadM[2]Arabidopsis thaliana
19 spectrum(a)
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Spectrum Details

analyteGlucose-6-phosphate (1MEOX) (6TMS) BP
analyte InChIInChI=1S/C25H64NO9PSi6/c1-28-26-20-22(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/h20,22-25H,21H2,1-19H3/b26-20-/t22-,23+,24+,25+/m0/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-METB
retention time (sec) 
retention index (VAR5 method, n-alkanes C10–C36)2,331.29 (predicted, according to Strehmel, N. et.al)
base peak (m/z)387
maximal intensity999
mass-intensity-peaks cardinality287 intensities
minimal m/z70
maximal m/z546
download JCAMP DXSpectrumJcampDx.ashx?id=e4193e0d-b34a-4b79-b68c-449c7644fda0
download MSPSpectrumMsp.ashx?id=e4193e0d-b34a-4b79-b68c-449c7644fda0

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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