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


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

replicalib entry datedetectionmethodspecies
112 June 2003 MS-QuadM[2]Arabidopsis thaliana
301 December 2003 MS-QuadM[2]Standard
412 May 2005  M[NIST] 
2705 June 2013  MRI_2013 
522 February 2005 MS-TOFM[STR] 
619 July 2007 MS-TOFVAR5Reference Substance
2430 March 2011  Fiehn_GC_2010 
901 October 2001 MS-TOFM[EIGTMS]Standard Addition
1001 January 2002 MS-TOFM[EIGTMS]Standard
2628 August 2012  MassBank GC 2010 Ara 
24 spectrum(a)
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Spectrum Details

analyteGlucose-6-phosphate (1MEOX) (6TMS) MP
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
authorsLiebig F, Erban A, Max Planck Institute of Molecular Plant Physiology, Department of Molecular Plant Physiology (Prof. Willmitzer L), Am Muehlenberg 1, D-14476 Golm, Germany
lib entry date15 March 2005
metabolite roleMETB-METB
retention time (sec)1,455.63
retention index (VAR5 method, n-alkanes C10–C36)2,308.72 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality184 intensities
minimal m/z70
maximal m/z506
download JCAMP DXSpectrumJcampDx.ashx?id=24d8e102-5177-495b-aebb-4c801776cc13
download MSPSpectrumMsp.ashx?id=24d8e102-5177-495b-aebb-4c801776cc13


citationErban A, Schauer N, Fernie AR, Kopka J (2006) In: Weckwerth W (ed): Methods in Molecular Biology Vol., Humana Press Inc., Totowa, USA
deconvolutionChromaTOF V1.00 (Pegasus Driver 1.61), LECO, St. Joseph, MI, USAOFFSET:1_SMOOTHING:3_WIDTH:6_SN:>2
derivatizationMEOX; TMSMethoxyamination:90min40°C; Trimethylsilylation:45min40°C
detectorMS-TOFMZ:70-600; SCANS:20/s; Pegasus III 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, C18, C19, C22, C28, C32, C36
separationGCCOLUMN:5%diphenyl-95%dimethylpolysiloxane (arylene), 30+10m, ID:0.25mm, DF:0.25microm, Rtx-5SilMS Integra-Guard, #525560 (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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