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Glucose-6-phosphate (6TMS)


Replica Mass Spectra of Glucose-6-phosphate (6TMS)

replicalib entry datedetectionmethodspecies
201 May 2001 MS-TOFM[EIGTMS]Saccharomyces cerevisiae
1103 November 2010  Schomburg_GC_2010 
301 August 2001 MS-QuadM[2]Standard
401 December 2003 MS-QuadM[2]Standard
512 May 2005  M[NIST] 
622 February 2005 MS-TOFM[STR] 
722 February 2005 MS-TOFM[STR] 
7 spectrum(a)
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Spectrum Details

analyteGlucose-6-phosphate (6TMS)
analyte InChIInChI=1S/C24H61O9PSi6/c1-35(2,3)28-21-20(19-26-34(25,32-39(13,14)15)33-40(16,17)18)27-24(31-38(10,11)12)23(30-37(7,8)9)22(21)29-36(4,5)6/h20-24H,19H2,1-18H3/t20?,21-,22+,23-,24?/m1/s1
analyte mass693.22
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 November 2001
metabolite roleMETB
retention time (sec)884.28
retention index (VAR5 method, n-alkanes C10–C36)2,370.38 (predicted, according to Strehmel, N. et.al)
base peak (m/z)73
maximal intensity999
mass-intensity-peaks cardinality158 intensities
minimal m/z73
maximal m/z548
download JCAMP DXSpectrumJcampDx.ashx?id=d92f3def-0386-4fa8-8559-1d4e8011960f
download MSPSpectrumMsp.ashx?id=d92f3def-0386-4fa8-8559-1d4e8011960f


citationWagner C, Sefkow M, Kopka J (2003) Phytochemistry 62, 887-900
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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